4-Bromothioanisole

CAS: 104-95-0

Ref. 3D-FB00139

Product Information

• Name: 4-Bromothioanisole
• Synonyms: (4-Bromophenyl)(methyl)sulfane, 1-Bromo-4-(Methylsulfanyl)Benzene, 1-Bromo-4-(methylthio)benzene, 4-(Methylthio)-1-bromobenzene, 4-(Methylthio)bromobenzene, 4-Bromo-1-(methylthio)benzene, 4-Bromophenyl methyl sulfide, 4-Bromophenyl methyl sulphide, 4-Methylthiophenyl bromide, Benzene, 1-bromo-4-(methylthio)-, Methyl 4-bromophenyl sulfide, Methyl p-bromophenyl sulfide, NSC 73383, Sulfide, p-bromophenyl methyl, p-(Methylthio)phenyl bromide, p-Bromo(methylthio)benzene, p-Bromophenyl methyl sulfide, p-Bromothioanisole

Description

4-Bromothioanisole is a sulfoxide that inhibits the activity of Cox-2, which is the inflammatory enzyme that causes pain. It is also a potent inhibitor of the enzyme thioesterase, which breaks down fatty acids and sulfoxides. 4-Bromothioanisole has been shown to inhibit pro-inflammatory cytokines and chemokines in macrophages. This compound is covalently immobilized at an ester linkage to polyethylene glycols, which prevents its decomposition by reducing agents. The molecular modeling study suggests that 4-bromothioanisole binds to the active site of Cox-2 with high affinity and selectivity.

• Brand: Biosynth

Chemical properties

• Molecular weight: 203.1 g/mol
• Formula: C₇H₇BrS
• Purity: Min. 98 Area-%
• Color/Form: White Powder
• InChI: InChI=1S/C7H7BrS/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3
• InChI key: InChIKey=YEUYZNNBXLMFCW-UHFFFAOYSA-N
• SMILES: CSc1ccc(Br)cc1