4-(Methylthio)benzyl Alcohol

CAS: 3446-90-0

Ref. 3D-FM61244

Product Information

• Name: 4-(Methylthio)benzyl Alcohol
• Synonyms: 4-(Hydroxymethyl)phenyl methyl sulfide, 4-(Methylmercapto)-benzyl alcohol, 4-(Methylthio)benzenemethanol, 4-(Methylthio)benzyl alcohol, 4-Methylsulfanylbenzyl alcohol, Benzenemethanol, 4-(methylthio)-, Benzyl alcohol, p-(methylthio)-, [4-(Methylsulfanyl)Phenyl]Methanol, p-(Methylthio)benzyl alcohol, p-Hydroxymethylthioanisole

Description

4-(Methylthio)benzyl Alcohol (MSBA) is a sulfate salt of 4-(methylthio)benzol, which is used as an inhibitor for cytochrome P450 enzymes. MSBA forms a covalent bond with cytochrome P450 and inhibits the oxidation of substrates to form reactive metabolites. This inhibitor can also be used to identify the active site of cytochrome P450 enzymes by docking analysis. The inhibition by MSBA has been demonstrated in recombinant cytochrome P450s using acetonitrile and stilbene derivatives as substrates. The inhibitory potency of MSBA is related to its methoxy groups and sulfate salt groups, which are important for binding with the enzyme. MSBA has been shown to metabolize into primary alcohols, such as 2-propynyl ethyl alcohol, that have inhibitory activities against cytochrome P450 enzymes.

• Brand: Biosynth

Chemical properties

• Molecular weight: 154.23 g/mol
• Formula: C₈H₁₀OS
• Purity: Min. 95%
• InChI: InChI=1S/C8H10OS/c1-10-8-4-2-7(6-9)3-5-8/h2-5,9H,6H2,1H3
• InChI key: InChIKey=MTXQKSQYMREAGJ-UHFFFAOYSA-N
• SMILES: CSc1ccc(CO)cc1