1375830-52-6

Basic information

• Product Name: C₁₇H₁₈N₄O₄S
• Synonyms: C₁₇H₁₈N₄O₄S
• CAS NO: 1375830-52-6
• Molecular Weight: 374.42
• Mol File: 1375830-52-6.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: C₁₇H₁₈N₄O₄S(CAS DataBase Reference)
• NIST Chemistry Reference: C₁₇H₁₈N₄O₄S(1375830-52-6)
• EPA Substance Registry System: C₁₇H₁₈N₄O₄S(1375830-52-6)

Safety Data

• Hazardous Substances Data: 1375830-52-6(Hazardous Substances Data)

Upstream product

• 162976-69-4 1H-benzimidazol-2-ylcarbamic acid methyl ester 
• 100-81-2 3-methyl-benzenemethanamine 
• 79213-74-4 methyl [6-(chlorosulfonyl)-1H-benzo[d]imidazol-2-yl]-carbamate 
• 934-32-7 1H-benzimidazol-2-amine 

Downstream Products

• 1422695-62-2 2-(3-(2-hydroxyethyl)ureido)-N-(3-methylbenzyl)-1H-benzo[d]imidazole-5-sulfonamide 

Relevant articles and documents

Design and synthesis of novel benzoheterocyclic derivatives as human acrosin inhibitors by scaffold hopping

Human acrosin is an attracting target for the development of novel male contraceptives. Scaffold hopping was used to optimize the isoxazolecarbaldehyde human acrosin inhibitors and extend their structure-activity relationships. Four kinds of scaffolds, namely benzimidazole, benzothiazole, 3H-indazole, and 5-phenyl-1H-pyrazole, were designed and synthesized. Most of the synthesized compounds showed potent human acrosin inhibitory activity and their binding modes were investigated by molecular docking. The scaffold of the compounds was found to be important for the inhibitory activity. Several compounds were more active than the positive control TLCK, suggesting that they can serve as good starting points for the discovery of novel male contraceptive agents.