2. Academic Validation
  3. Identification and optimization of novel 6-acylamino-2-aminoquinolines as potent Hsp90 C-terminal inhibitors

Identification and optimization of novel 6-acylamino-2-aminoquinolines as potent Hsp90 C-terminal inhibitors

  • Eur J Med Chem. 2017 Dec 1;141:1-14. doi: 10.1016/j.ejmech.2017.07.080.
Fen Jiang 1,  An-Ping Guo 1,  Jia-Cheng Xu 1,  Hui-Jie Wang 1,  Xiao-Fei Mo 1,  Qi-Dong You 2,  Xiao-Li Xu 3
Affiliations

Affiliations

  • 1 State Key Laboratory of Natural Medicines, And Jiang Su Key Laboratory of Drug Design and Optimization, China Pharmaceutical University, Nanjing 210009, China; Department of Medicinal Chemistry, School of Pharmacy, China Pharmaceutical University, Nanjing 210009, China.
  • 2 State Key Laboratory of Natural Medicines, And Jiang Su Key Laboratory of Drug Design and Optimization, China Pharmaceutical University, Nanjing 210009, China; Department of Medicinal Chemistry, School of Pharmacy, China Pharmaceutical University, Nanjing 210009, China. Electronic address: youqd@cpu.edu.cn.
  • 3 State Key Laboratory of Natural Medicines, And Jiang Su Key Laboratory of Drug Design and Optimization, China Pharmaceutical University, Nanjing 210009, China; Department of Medicinal Chemistry, School of Pharmacy, China Pharmaceutical University, Nanjing 210009, China. Electronic address: xuxiao_li@126.com.
PMID: 29028527 DOI: 10.1016/j.ejmech.2017.07.080
Abstract

In order to discover novel HSP90 inhibitors targeting the C-terminal ATP binding pocket, a novobiocin derivative based ROCS model was constructed for virtual screening. Compound 13 was identified as the lead compound and then systematical structure activity relationship (SAR) study was conducted. These efforts led to compound 69, which exhibited potent anti-proliferative activities against MCF7 and SKBr3 breast Cancer cell lines. In 4T1 mice breast Cancer models, 69 exhibited potent tumor growth inhibition and anti-metastasis effect. Compound 69 as a potent antitumor agent targeting the HSP90 C-terminal is worthy of further pre-clinical study.

Keywords

Anti-metastasis; Anti-proliferative activity; Hsp90 C-terminal inhibitor.

Figures
Products
  • Cat. No.
    Product Name
    Description
    Target
    Research Area
  • HY-153588
    ≥98.0%, Hsp90抑制剂
    HSP
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