Methylisothiazolinone-d3 (hydrochloride)

Methylisothiazolinone-d3 (hydrochloride)

• CAS Number: 1329509-49-0
• UNSPSC Description: 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.
• Target Antigen: Bacterial; Isotope-Labeled Compounds
• Type: Isotope-Labeled Compounds
• Related Pathways: Anti-infection;Others
• Applications: COVID-19-immunoregulation
• Field of Research: Infection
• Solubility: 10 mM in DMSO
• Smiles: O=C1N(SC=C1)C([2H])([2H])[2H].Cl
• Molecular Weight: 154.63
• References & Citations: [1]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.|[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.|[3]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216.
• Shipping Conditions: Room temperature
• Clinical Information: No Development Reported