Simeprevir (Synonyms: 西咪匹韦; TMC435; TMC435350)

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Simeprevir (TMC435; TMC435350) 是一种有效、高特异性且具有口服活性的丙型肝炎病毒 (HCV) NS3/4A蛋白酶抑制剂，K_i 值为 0.36 nM，并抑制 HCV 复制，EC₅₀ 值为 7.8 nM。Simeprevir 还能有效抑制 SARS-CoV-2 的复制，并与瑞德西韦 (Remdesivir) 具有协同作用。Simeprevir 可抑制 SARS-CoV-2 的主要蛋白酶 (M^pro) 和 RNA 依赖性 RNA 聚合酶 (RdRp)，并调节宿主免疫反应。

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Simeprevir Chemical Structure

CAS No. : 923604-59-5

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Other Forms of Simeprevir:

Simeprevir-¹³C,d₃ 询价
Simeprevir sodium 询价

MCE 顾客使用本产品发表的 40 篇科研文献

: Simeprevir purchased from MCE. Usage Cited in: Eur J Med Chem. 2018 Jan 1;143:1053-1065. [Abstract]; Huh7.5 cells are infected with HCV and simultaneously treated with 7f (10 μM) or DAA (0.04 μM Simeprevir, 0.08 μM Sofosbuvir, or 16 pM Daclatasvir) or 7f plus DAA.

: Simeprevir purchased from MCE. Usage Cited in: Biomed Res Int. 2017;2017:1236801. [Abstract]; Huh7.5 (HCV+) cells are treated with 1 μM of Simeprevir or solvent control. At 24 hours, the cells are washed and continuously incubated with fresh culture media containing drugs again for 48 hours. The cultural supernatants are then harvested and directly incubated to naïve Huh7.5 cells. After been passaged 1~3 times, the newly infected cells are treated with 1 μM of Simeprevir for 72 hours. Intracellular proteins are extracted and detected with WB.

: Simeprevir purchased from MCE. Usage Cited in: Int J Radiat Oncol Biol Phys. 2016 Nov 15;96(4):867-876. [Abstract]; Simeprevir inhibits DNA damage repair following irradiation. U251, BT474, and HepG2 cells are pretreated with Simeprevir or DMSO and irradiated at a dose of 6 Gy. After 6 hours, prolongation of γH2AX foci is detected in Simeprevir-treated cells along with decreased phosphorylation of DNA-PKcs, indicating impaired nonhomologous end-joining repair.

: Simeprevir purchased from MCE. Usage Cited in: J Med Chem. 2016 Nov 23;59(22):10268-10284. [Abstract]; Huh7.5 cells are infected with HCV (45 IU/cell) and simultaneously treated with Simeprevir (A, 0.025 μM), Sofosbuvir (B, 0.1 μM), or Daclatasvir (C, 16 pM) alone or with 1 (6.25 μM).

: Simeprevir purchased from MCE. Usage Cited in: College of Medicine/School of Medicine. Seoul National University. 2016 Aug.; Pharmacologic inhibition of PI4KIIIα using Simeprevir increases the radiosensitivity in U251 cells.

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生物活性
纯度 & 产品资料
参考文献

生物活性

Simeprevir (TMC435; TMC435350) is an oral, potent and highly specific hepatitis C virus (HCV) NS3/4A protease inhibitor with a K_i of 0.36 nM. Simeprevir inhibits HCV replication with an EC₅₀ of 7.8 nM. Simeprevir also potently suppresses SARS-CoV-2 replication and synergizes with Remdesivir. Simeprevir inhibits the main protease (M^pro) and the RNA-dependent RNA polymerase (RdRp) of SARS-CoV-2, and also modulates host immune responses^[1]^[4].

IC₅₀ & Target

K_i: 0.36 nM (HCV NS3/4A protease)^[1]
EC₅₀: 7.8 nM (HCV replication)^[1]
IC₅₀: 9.6±2.3 μM (SARS-CoV-2 M^pro), 5.5±0.2 μM (SARS-CoV-2 RdRp)^[4]

细胞效力
(Cellular Effect)

Cell Line	Type	Value	Description	References
HT-1080	CC₅₀	16 μM Compound: TMC-435350	Cytotoxicity against human HT1080 cells after 3 to 4 days by resazurin proliferation assay Cytotoxicity against human HT1080 cells after 3 to 4 days by resazurin proliferation assay	[PMID: 19171797]
Huh-7	EC₅₀	1.4 nM Compound: TMC-435	Antiviral activity against HCV 1b infected in human Huh-7 cells after 48hrs by luciferase assay Antiviral activity against HCV 1b infected in human Huh-7 cells after 48hrs by luciferase assay	[PMID: 21067923]
Huh-7	EC₅₀	11 nM Compound: TMC-435	Antiviral activity against Hepatitis C virus subtype 1b expressing WT NS3 infected in HuH7 cells after 48 hrs by by luciferase reporter assay Antiviral activity against Hepatitis C virus subtype 1b expressing WT NS3 infected in HuH7 cells after 48 hrs by by luciferase reporter assay	[PMID: 20176898]
Huh-7	EC₅₀	11 nM Compound: TMC-435	Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 R109K mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 R109K mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay	[PMID: 20176898]
Huh-7	EC₅₀	12 nM Compound: TMC-435	Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 Q80L mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 Q80L mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay	[PMID: 20176898]
Huh-7	EC₅₀	13 nM Compound: TMC-435350	Antiviral activity against Hepatitis C virus 1b infected in human HuH7 cells assessed as viral RNA level after 72 hrs by quantitative reverse transcriptase PCR Antiviral activity against Hepatitis C virus 1b infected in human HuH7 cells assessed as viral RNA level after 72 hrs by quantitative reverse transcriptase PCR	[PMID: 19171797]
Huh-7	EC₅₀	1362 nM Compound: TMC-435	Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 Q80H and D168E mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 Q80H and D168E mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay	[PMID: 20176898]
Huh-7	EC₅₀	16867 nM Compound: TMC-435	Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 Q80R and D168A mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 Q80R and D168A mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay	[PMID: 20176898]
Huh-7	EC₅₀	17917 nM Compound: TMC-435	Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 D168V mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 D168V mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay	[PMID: 20176898]
Huh-7	EC₅₀	18 nM Compound: TMC-435	Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 V36L mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 V36L mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay	[PMID: 20176898]
Huh-7	EC₅₀	18 nM Compound: TMC-435	Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 Q41R mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 Q41R mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay	[PMID: 20176898]
Huh-7	EC₅₀	1815 nM Compound: TMC-435	Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 F43S and Q80R mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 F43S and Q80R mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay	[PMID: 20176898]
Huh-7	EC₅₀	2.3 nM Compound: TMC-435	Antiviral activity against HCV 1a infected in human Huh-7 cells after 48hrs by luciferase assay Antiviral activity against HCV 1a infected in human Huh-7 cells after 48hrs by luciferase assay	[PMID: 21067923]
Huh-7	EC₅₀	2.7 nM Compound: TMC-435350	Antiviral activity against HCV1b harboring Q80Q polymorphism in NS3 protease gene infected in human Huh7/Lunet cells assessed as inhibition of viral replication after 3 days by luciferase based transient-transfection assay Antiviral activity against HCV1b harboring Q80Q polymorphism in NS3 protease gene infected in human Huh7/Lunet cells assessed as inhibition of viral replication after 3 days by luciferase based transient-transfection assay	[PMID: 20855726]
Huh-7	EC₅₀	20 nM Compound: TMC-435	Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 V36M mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 V36M mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay	[PMID: 20176898]
Huh-7	EC₅₀	20.1 nM Compound: TMC-435350	Antiviral activity against HCV1b harboring Q80K polymorphism in NS3 protease gene infected in human Huh7/Lunet cells assessed as inhibition of viral replication after 3 days by luciferase based transient-transfection assay Antiviral activity against HCV1b harboring Q80K polymorphism in NS3 protease gene infected in human Huh7/Lunet cells assessed as inhibition of viral replication after 3 days by luciferase based transient-transfection assay	[PMID: 20855726]
Huh-7	EC₅₀	206 nM Compound: TMC-435	Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 A156G mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 A156G mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay	[PMID: 20176898]
Huh-7	EC₅₀	21 nM Compound: TMC-435	Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 R155Q mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 R155Q mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay	[PMID: 20176898]
Huh-7	EC₅₀	2149 nM Compound: TMC-435	Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 A156V mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 A156V mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay	[PMID: 20176898]
Huh-7	EC₅₀	22 nM Compound: TMC-435	Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 Q80G mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 Q80G mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay	[PMID: 20176898]
Huh-7	EC₅₀	22 nM Compound: TMC-435	Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 V170A mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 V170A mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay	[PMID: 20176898]
Huh-7	EC₅₀	23203 nM Compound: TMC-435	Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 D168I mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 D168I mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay	[PMID: 20176898]
Huh-7	EC₅₀	25.2 nM Compound: TMC-435350	Antiviral activity against Hepatitis C virus 1b isolate con1 infected in human HuH7 cells assessed as viral RNA level after 72 hrs by quantitative reverse transcriptase PCR Antiviral activity against Hepatitis C virus 1b isolate con1 infected in human HuH7 cells assessed as viral RNA level after 72 hrs by quantitative reverse transcriptase PCR	[PMID: 19171797]
Huh-7	EC₅₀	260 nM Compound: TMC-435	Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 R155K mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 R155K mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay	[PMID: 20176898]
Huh-7	EC₅₀	28.4 nM Compound: TMC-435350	Antiviral activity against HCV 1a H77 infected in human HuH7 cells assessed as viral RNA level after 72 hrs by quantitative reverse transcriptase PCR Antiviral activity against HCV 1a H77 infected in human HuH7 cells assessed as viral RNA level after 72 hrs by quantitative reverse transcriptase PCR	[PMID: 19171797]
Huh-7	EC₅₀	2853 nM Compound: TMC-435	Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 Q80R and R155K mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 Q80R and R155K mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay	[PMID: 20176898]
Huh-7	EC₅₀	3 nM Compound: TMC-435	Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 A156S mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 A156S mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay	[PMID: 20176898]
Huh-7	EC₅₀	3.3 nM Compound: TMC-435350	Antiviral activity against HCV1b Con1 harboring NS3 protease gene infected in human Huh7/Lunet cells assessed as inhibition of viral replication after 3 days by luciferase based transient-transfection assay Antiviral activity against HCV1b Con1 harboring NS3 protease gene infected in human Huh7/Lunet cells assessed as inhibition of viral replication after 3 days by luciferase based transient-transfection assay	[PMID: 20855726]
Huh-7	EC₅₀	3.5 nM Compound: TMC-435	Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 R155M mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 R155M mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay	[PMID: 20176898]
Huh-7	EC₅₀	302 nM Compound: TMC-435	Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 D168E mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 D168E mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay	[PMID: 20176898]
Huh-7	EC₅₀	314 nM Compound: TMC-435	Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 R155T mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 R155T mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay	[PMID: 20176898]
Huh-7	EC₅₀	34 nM Compound: TMC-435	Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 V36A mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 V36A mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay	[PMID: 20176898]
Huh-7	EC₅₀	350 nM Compound: TMC-435	Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 R155G mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 R155G mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay	[PMID: 20176898]
Huh-7	EC₅₀	3607 nM Compound: TMC-435	Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 F43S and D168E mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 F43S and D168E mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay	[PMID: 20176898]
Huh-7	EC₅₀	377 nM Compound: TMC-435	Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 A156T mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 A156T mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay	[PMID: 20176898]
Huh-7	EC₅₀	4089 nM Compound: TMC-435	Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 D168T mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 D168T mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay	[PMID: 20176898]
Huh-7	EC₅₀	41 nM Compound: TMC-435	Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 Q80H mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 Q80H mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay	[PMID: 20176898]
Huh-7	EC₅₀	42 nM Compound: TMC-435	Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 D168G mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 D168G mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay	[PMID: 20176898]
Huh-7	EC₅₀	4647 nM Compound: TMC-435	Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 Q80K and R155K mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 Q80K and R155K mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay	[PMID: 20176898]
Huh-7	CC₅₀	47 μM Compound: TMC-435350	Cytotoxicity against human HuH7 cells infected with Hepatitis C virus subtype 1b after 3 to 4 days by resazurin proliferation assay Cytotoxicity against human HuH7 cells infected with Hepatitis C virus subtype 1b after 3 to 4 days by resazurin proliferation assay	[PMID: 19171797]
Huh-7	EC₅₀	49 nM Compound: TMC-435	Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 Q80R mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 Q80R mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay	[PMID: 20176898]
Huh-7	EC₅₀	5.4 nM Compound: TMC-435	Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 T54S mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 T54S mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay	[PMID: 20176898]
Huh-7	EC₅₀	5.9 nM Compound: TMC-435	Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 T54A mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 T54A mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay	[PMID: 20176898]
Huh-7	EC₅₀	52 nM Compound: TMC-435	Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 V170T mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 V170T mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay	[PMID: 20176898]
Huh-7	EC₅₀	562 nM Compound: TMC-435	Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 F43I mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 F43I mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay	[PMID: 20176898]
Huh-7	EC₅₀	5655 nM Compound: TMC-435	Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 D168H mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 D168H mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay	[PMID: 20176898]
Huh-7	EC₅₀	5902 nM Compound: TMC-435	Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 Q80R and D168E mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 Q80R and D168E mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay	[PMID: 20176898]
Huh-7	EC₅₀	6.6 nM Compound: TMC-435	Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 R155I mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 R155I mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay	[PMID: 20176898]
Huh-7	EC₅₀	62 nM Compound: TMC-435	Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 Q80K mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 Q80K mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay	[PMID: 20176898]
Huh-7	EC₅₀	6238 nM Compound: TMC-435	Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 D168Y mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 D168Y mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay	[PMID: 20176898]
Huh-7	EC₅₀	626 nM Compound: TMC-435	Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 F43V mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 F43V mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay	[PMID: 20176898]
Huh-7	EC₅₀	6356 nM Compound: TMC-435	Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 D168A mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 D168A mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay	[PMID: 20176898]
Huh-7	EC₅₀	7.8 nM Compound: TMC-435	Antiviral activity against HCV 1B infected in human Huh7 cells by firefly luciferase reporter gene assay Antiviral activity against HCV 1B infected in human Huh7 cells by firefly luciferase reporter gene assay	[PMID: 20541424]
Huh-7	EC₅₀	77 nM Compound: TMC-435	Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 S138T mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 S138T mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay	[PMID: 20176898]
Huh-7	EC₅₀	79 nM Compound: TMC-435	Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 D168N mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 D168N mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay	[PMID: 20176898]
Huh-7	EC₅₀	8 nM Compound: TMC-435	Antiviral activity against Hepatitis C virus subtype 1b infected in HuH7 cells after 72 hrs by luciferase reporter gene assay Antiviral activity against Hepatitis C virus subtype 1b infected in HuH7 cells after 72 hrs by luciferase reporter gene assay	[PMID: 20176898]
Huh-7	EC₅₀	8.1 nM Compound: TMC-435350	Antiviral activity against Hepatitis C virus 1b infected in human HuH7 cells assessed as viral RNA level after 72 hrs by luciferase reporter gene assay Antiviral activity against Hepatitis C virus 1b infected in human HuH7 cells assessed as viral RNA level after 72 hrs by luciferase reporter gene assay	[PMID: 19171797]
Huh-7	EC₅₀	83 nM Compound: TMC-435	Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 F43S mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay Antiviral activity against Hepatitis C virus subtype 1b expressing NS3 F43S mutant infected in HuH7 cells after 48 hrs by by luciferase reporter assay	[PMID: 20176898]
JY	IC₅₀	0.8 μM Compound: TMC-435350	Inhibition of human cathepsin S in human JY cells assessed as p10 accumulation by fluorescence-based assay Inhibition of human cathepsin S in human JY cells assessed as p10 accumulation by fluorescence-based assay	[PMID: 19171797]
MRC5	CC₅₀	16 μM Compound: TMC-435350	Cytotoxicity against human MRC5 cells after 3 to 4 days by resazurin proliferation assay Cytotoxicity against human MRC5 cells after 3 to 4 days by resazurin proliferation assay	[PMID: 19171797]
MT4	CC₅₀	16 μM Compound: TMC-435350	Cytotoxicity against human MT4 cells after 3 to 4 days by resazurin proliferation assay Cytotoxicity against human MT4 cells after 3 to 4 days by resazurin proliferation assay	[PMID: 19171797]
PBMC	CC₅₀	≥ 10 μM Compound: 29, TMC435	Cytotoxicity against staphylococcal enterotoxin B-stimulated human PBMC assessed as decrease in cell viability after 72 hrs by WST-1 assay Cytotoxicity against staphylococcal enterotoxin B-stimulated human PBMC assessed as decrease in cell viability after 72 hrs by WST-1 assay	[PMID: 24446688]
SAOS-2	CC₅₀	16 μM Compound: TMC-435350	Cytotoxicity against human Saos2 cells after 3 to 4 days by resazurin proliferation assay Cytotoxicity against human Saos2 cells after 3 to 4 days by resazurin proliferation assay	[PMID: 19171797]

体外研究
(In Vitro)

Simeprevir (TMC435) inhibits HCV in a dose-dependent manner in Huh7-Luc cells, with EC₅₀ and EC₉₀ values of 8 nM and 24 nM, respectively^[2].
Simeprevir (TMC435) inhibits NS3/4A proteases from HCV genotypes 1 to 6 with IC₅₀s of 1/0.9/7/30/1.5/2.2/1.6 nM for 1a/1b/2b/3a/4/5/6, respectively^[3].
Simeprevir inhibits SARS-CoV-2 in Vero E6 cells with IC₅₀s of 9.6±2.3 μM and 5.5±0.2 μM for M^pro and RdRp, respectively^[4].

MCE has not independently confirmed the accuracy of these methods. They are for reference only.

体内研究
(In Vivo)

Simeprevir (TMC435) has moderate terminal elimination half-life (t_1/2=1.5 h and 4.1 h for rat (3 mg/kg, p.o.), monkey (3 mg/kg, p.o.))^[3].
Simeprevir (TMC435350) exhibits a medium-slow rate of absorption, well distribution with the high concentration observed in the liver, and a low clearance^[1].
Pharmacokinetic Parameters of Simeprevir (TMC435350) in male Sprague-Dawley rats^[1].

	IV (2 mg/kg)	PO (10 mg/kg)
CL (L/h/kg)	0.505
Vd_ss (h)	0.49
AUC_0-24 (μM·h)	5.21	2.79
C_max (μM)		0.73
T_max (h)		3.0
T_1/2 (h)		2.8
F (%)		11
Liver/plasma ratio at 6 h	63.5	32

MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Animal Model:	Sprague-Dawley (SD) rats and cynomolgus monkeys^[3]
Dosage:	3 mg/kg
Administration:	Oral administration
Result:	Time at which peak concentration (T_max) of 1 hour and 2 hour for rat and monkey, respectively. Concentration at 24 h after dosing (C_{24 h}) of 0.9 and 2.3 ng/mL for rat and monkey, respectively. AUC_0-24h=1173 and1409 ng • h/mL for rat and monkey, respectively.

Clinical Trial

分子量

749.94

Formula

C₃₈H₄₇N₅O₇S₂

CAS 号

923604-59-5

性状

固体

颜色

White to off-white

中文名称

西咪匹韦；西米普韦

运输条件

Room temperature in continental US; may vary elsewhere.

储存方式

Powder	-20°C	3 years
	4°C	2 years
In solvent	-80°C	1 year
	-20°C	6 months

溶解性数据

细胞实验：

DMSO 中的溶解度 : 14.29 mg/mL (19.05 mM; 超声助溶; 吸湿的 DMSO 对产品的溶解度有显著影响，请使用新开封的 DMSO)

配制储备液

浓度溶剂体积质量	1 mg	5 mg	10 mg

1 mM	1.3334 mL	6.6672 mL	13.3344 mL
5 mM	0.2667 mL	1.3334 mL	2.6669 mL
10 mM	0.1333 mL	0.6667 mL	1.3334 mL

查看完整储备液配制表

* 请根据产品在不同溶剂中的溶解度选择合适的溶剂配制储备液；一旦配成溶液，请分装保存，避免反复冻融造成的产品失效。
储备液的保存方式和期限：-80°C, 1 year; -20°C, 6 months。-80°C储存时，请在1年内使用， -20°C储存时，请在6个月内使用。

摩尔计算器
稀释计算器

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

浓度 _(start)

体积 _(start)

浓度 _(final)

体积 _(final)

动物实验：

请根据您的实验动物和给药方式选择适当的溶解方案。

以下溶解方案都请先按照 In Vitro 方式配制澄清的储备液，再依次添加助溶剂：
——为保证实验结果的可靠性，澄清的储备液可以根据储存条件，适当保存；体内实验的工作液，建议您现用现配，当天使用；
以下溶剂前显示的百分比是指该溶剂在您配制终溶液中的体积占比；如在配制过程中出现沉淀、析出现象，可以通过加热和/或超声的方式助溶

方案一

请依序添加每种溶剂： 5% DMSO 40% PEG300 5% Tween-80 50% Saline
Solubility: 2.5 mg/mL (3.33 mM); 悬浊液; 超声助溶
方案二

请依序添加每种溶剂： 10% DMSO 40% PEG300 5% Tween-80 45% Saline
Solubility: ≥ 1.43 mg/mL (1.91 mM); 澄清溶液

此方案可获得 ≥ 1.43 mg/mL（饱和度未知）的澄清溶液。
以 1 mL 工作液为例，取 100 μL 14.3 mg/mL 的澄清 DMSO 储备液加到 400 μL PEG300 中，混合均匀；再向上述体系中加入 50 μL Tween-80，混合均匀；然后再继续加入 450 μL 生理盐水定容至 1 mL。
生理盐水的配制：将 0.9 g 氯化钠，溶解于 ddH₂O 并定容至 100 mL，可以得到澄清透明的生理盐水溶液。
方案三

请依序添加每种溶剂： 10% DMSO 90% Corn Oil
Solubility: ≥ 1.43 mg/mL (1.91 mM); 澄清溶液

此方案可获得 ≥ 1.43 mg/mL（饱和度未知）的澄清溶液，此方案实验周期在半个月以上的动物实验酌情使用。
以 1 mL 工作液为例，取 100 μL 14.3 mg/mL 的澄清 DMSO 储备液加到 900 μL玉米油中，混合均匀。

动物溶解方案计算器

请输入动物实验的基本信息：

给药剂量

mg/kg

动物的平均体重

每只动物的给药体积

μL

动物数量

只

由于实验过程有损耗，建议您多配一只动物的量

请输入您的动物体内配方组成：

DMSO +

Tween-80 +

Saline

如果您的动物是免疫缺陷鼠或者体弱鼠，建议 DMSO 中的在最后工作液体系中的占比尽量不超过 2%。

方案所需 助溶剂 包括：DMSO，，均可在 MCE 网站选购。，Tween 80，均可在 MCE 网站选购。

计算结果

工作液所需浓度 : mg/mL

储备液配制方法 : mg 药物溶于 μL DMSO（母液浓度为 mg/mL）。

您所需的储备液浓度超过该产品的实测溶解度，以下方案仅供参考，如有需要，请与 MCE 中国技术支持联系。

动物实验体内工作液的配制方法 : 取 μL DMSO 储备液，加入 μL 。 μL ，混合均匀至澄清，再加 μL Tween 80，混合均匀至澄清，再加 μL 生理盐水。

连续给药周期超过半月以上，请谨慎选择该方案。

请确保第一步储备液溶解至澄清状态，从左到右依次添加助溶剂。您可采用超声加热（超声清洗仪，建议频次 20-40 kHz），涡旋吹打等方式辅助溶解。

纯度 & 产品资料

纯度: 99.90%

选择批次：

Data Sheet (641 KB) SDS (252 KB)

COA (206 KB) LCMS (273 KB)

产品使用指南 (1538 KB)

参考文献

[1]. Raboisson P, et al. Structure-activity relationship study on a novel series of cyclopentane-containing macrocyclic inhibitors of the hepatitis C virus NS3/4A protease leading to the discovery of TMC435350. Bioorg Med Chem Lett. 2008 Sep 1;18(17):4853-8. [Content Brief]

[2]. Lin TI, et al. In vitro activity and preclinical profile of TMC435350, a potent hepatitis C virus protease inhibitor.Antimicrob Agents Chemother. 2009 Apr;53(4):1377-85. Epub 2009 Jan 26. [Content Brief]

[3]. Rajagopalan R, et al. Preclinical Characterization and Human Microdose Pharmacokinetics of ITMN-8187, a Nonmacrocyclic Inhibitor of the Hepatitis C Virus NS3 Protease. Antimicrob Agents Chemother. 2016 Dec 27;61(1). pii: e01569-16. [Content Brief]

[4]. Lo HS, et al. Simeprevir Potently Suppresses SARS-CoV-2 Replication and Synergizes with Remdesivir. ACS Cent Sci. 2021 May 26;7(5):792-802. [Content Brief]

Simeprevir 相关分类

Infection

完整储备液配制表

可选溶剂	浓度溶剂体积质量	1 mg	5 mg	10 mg	25 mg

DMSO	1 mM	1.3334 mL	6.6672 mL	13.3344 mL	33.3360 mL
	5 mM	0.2667 mL	1.3334 mL	2.6669 mL	6.6672 mL
	10 mM	0.1333 mL	0.6667 mL	1.3334 mL	3.3336 mL
	15 mM	0.0889 mL	0.4445 mL	0.8890 mL	2.2224 mL

Help & FAQs

Do most proteins show cross-species activity?
Species cross-reactivity must be investigated individually for each product. Many human cytokines will produce a nice response in mouse cell lines, and many mouse proteins will show activity on human cells. Other proteins may have a lower specific activity when used in the opposite species.

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Simeprevir (Synonyms: 西咪匹韦; TMC435; TMC435350)

Other Forms of Simeprevir:

MCE 顾客使用本产品发表的 40 篇科研文献

Simeprevir 相关产品

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完整储备液配制表

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Simeprevir (Synonyms: 西咪匹韦; TMC435; TMC435350)

Other Forms of Simeprevir:

Simeprevir 相关抗体

MCE 顾客使用本产品发表的 40 篇科研文献

Simeprevir 相关产品

•相关化合物库:

•同靶点产品:

•同靶点蛋白产品:

生物活性

纯度 & 产品资料

参考文献

Simeprevir 相关抗体:

摩尔计算器

稀释计算器

Simeprevir 相关分类

完整储备液配制表

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