Methylisothiazolinone-d₃ hydrochloride  (Synonyms: 2-甲基-4-异噻唑啉-3-酮盐酸盐-d₃)

Methylisothiazolinone-d₃ (hydrochloride) is the deuterium labeled Methylisothiazolinone (hydrochloride). Methylisothiazolinone hydrochloride is the constituent of the biocide Kathon CG. Methylisothiazolinone hydrochloride is an isothiazolone derivative widely used as a preservative. Methylisothiazolinone hydrochloride is also a moderate sensitizer and reacts with GSH.

Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs^[1].

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

154.63

C₄H₃D₃ClNOS

1329509-49-0

2682-20-4

2-甲基-4-异噻唑啉-3-酮盐酸盐-d₃

Room temperature in continental US; may vary elsewhere.

Please store the product under the recommended conditions in the Certificate of Analysis.

• [1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216.  [Content Brief]

  [2]. Rubén Alvarez-Sánchez, et al. Covalent Binding of the 13C-labeled Skin Sensitizers 5-chloro-2-methylisothiazol-3-one (MCI) and 2-methylisothiazol-3-one (MI) to a Model Peptide and Glutathione. Bioorg Med Chem Lett. 2004 Jan 19;14(2):365-8.  [Content Brief]

  [3]. Aynur O Aptula, et al. From Experiment to Theory: Molecular Orbital Parameters to Interpret the Skin Sensitization Potential of 5-chloro-2-methylisothiazol-3-one and 2-methylisothiazol-3-one. Chem Res Toxicol. 2005 Feb;18(2):324-9.  [Content Brief]