Methylisothiazolinone-d3 hydrochloride
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Methylisothiazolinone-d3 hydrochloride is the deuterium labeled Methylisothiazolinone hydrochloride (HY-W010243). Methylisothiazolinone hydrochloride is a bacterial and fungal inhibitor and preservative, as well as a sensitizer. Methylisothiazolinone hydrochloride can activate matrix metalloproteinases (MMPs) in human bronchial epithelial cells to induce apoptosis and inflammatory response. Methylisothiazolinone hydrochloride can promote the development of atopic dermatitis in mice by disrupting Th2/Th17 related immune responses. Methylisothiazolinone hydrochloride can cause mitochondrial damage in the endothelium of rat cerebral blood vessels.
For research use only. We do not sell to patients.
- Purity: 99.42%
- CAS No.: 1329509-49-0
- Formula: C4H3D3ClNOS
- Molecular Weight:154.63
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Storage:
-20°C, sealed storage, away from moisture
* In solvent : -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture)
Biological Activity
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].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
1. This compound can be used as a tracer
2. This compound can be used as an internal standard for quantitative analysis by NMR, GC-MS, or LC-MS.
Chemical Information
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CAS No. 1329509-49-0
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Unlabeled Cas 2682-20-4
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Appearance Solid
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Molecular Weight 154.63
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Formula C4H3D3ClNOS
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Color White to off-white
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SMILES
O=C1N(SC=C1)C([2H])([2H])[2H].Cl
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Shipping
Room temperature in continental US; may vary elsewhere.
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Storage
-20°C, sealed storage, away from moisture
* In solvent : -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture)
Purity & Documentation
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Data Sheet (273 KB)
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SDS (536 KB)
- English - EN (536 KB)
- Français - FR (536 KB)
- Deutsch - DE (536 KB)
- Norwegian - NO (536 KB)
- Español - ES (536 KB)
- Swedish - SV (536 KB)
- Italian - IT (536 KB)
- Korean - KR (536 KB)
- Portuguese - PT (536 KB)
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Handling Instructions (2659 KB)
References
[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]
Calculators
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)