401573-42-0

Basic information

• Product Name: Methanesulfonamide, N-[4-(isothiocyanatomethyl)phenyl]-
• CAS NO: 401573-42-0
• Molecular Formula: C9H10N2O2S2
• Molecular Weight: 242.323
• Mol File: 401573-42-0.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: Methanesulfonamide, N-[4-(isothiocyanatomethyl)phenyl]-(CAS DataBase Reference)
• NIST Chemistry Reference: Methanesulfonamide, N-[4-(isothiocyanatomethyl)phenyl]-(401573-42-0)
• EPA Substance Registry System: Methanesulfonamide, N-[4-(isothiocyanatomethyl)phenyl]-(401573-42-0)

Safety Data

• Hazardous Substances Data: 401573-42-0(Hazardous Substances Data)

Upstream product

• 6160-65-2 1,1'-Thiocarbonyldiimidazole 
• 238427-63-9 tert-butyl N-[[4-(methanesulfonamido)phenyl]methyl]carbamate 
• 94838-55-8 tert-butyl (4-aminobenzyl)carbamate 
• 4403-71-8 (4-aminomethyl)aniline 

Downstream Products

• 401909-54-4 N-{4-[3-(4-tert-butyl-2-hydroxymethyl-benzyl)-thioureidomethyl]-phenyl}-methanesulfonamide 
• 691364-47-3 N-{4-[3-(4-tert-butyl-2-hydroxy-benzyl)-thioureidomethyl]-phenyl}-methanesulfonamide 
• 1364683-63-5 (R)-N-(4-((3-(1-(4-(tert-butyl)phenyl)ethyl)thioureido)methyl)phenyl)methanesulfonamide 

Relevant articles and documents

N-(3-acyloxy-2-benzylpropyl)-N′-[4-(methylsulfonylamino)benzyl]thiourea analogues: Novel potent and high affinity antagonists and partial antagonists of the vanilloid receptor

Isosteric replacement of the phenolic hydroxyl group in potent vanilloid receptor (VR1) agonists with the alkylsulfonamido group provides a series of compounds which are effective antagonists to the action of the capsaicin on rat VR1 heterologously expressed in Chinese hamster ovary (CHO) cells. In particular, compound 61, N-[2-(3,4-dimethylbenzyl)-3-pivaloyloxypropyl]-N′-[3-fluoro-4- (methylsulfonylamino)benzyl]thiourea was a full antagonist against capsaicin, displayed a Ki value of 7.8 nM (compared to 520 nM for capsazepine and 4 nM for 5-iodoRTX), and showed excellent analgesic activity in mice. Structure-activity analysis of the influence of modifications in the A- and C-regions of 4-methylsulfonamide ligands on VR1 agonism/antagonism indicated that 3-fluoro substitution in the A-region and a 4-tert-butylbenzyl moiety in the C-region favored antagonism, whereas a 3-methoxy group in the A-region and 3-acyloxy2-benzylpropyl moieties in the C-region favored agonism.