596803-03-1

Basic information

• Product Name: 2-({6-[2-(bis-benzyloxy-phosphoryl)-1-methoxycarbonyl-ethylcarbamoyl]-1H-benzoimidazol-2-yl}-difluoro-methyl)-3-methyl-3H-benzoimidazole-5-carboxylic acid
• Synonyms: 2-({6-[2-(bis-benzyloxy-phosphoryl)-1-methoxycarbonyl-ethylcarbamoyl]-1H-benzoimidazol-2-yl}-difluoro-methyl)-3-methyl-3H-benzoimidazole-5-carboxylic acid
• CAS NO: 596803-03-1
• Molecular Weight: 731.649
• Mol File: 596803-03-1.mol

Chemical Properties

• CAS DataBase Reference: 2-({6-[2-(bis-benzyloxy-phosphoryl)-1-methoxycarbonyl-ethylcarbamoyl]-1H-benzoimidazol-2-yl}-difluoro-methyl)-3-methyl-3H-benzoimidazole-5-carboxylic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 2-({6-[2-(bis-benzyloxy-phosphoryl)-1-methoxycarbonyl-ethylcarbamoyl]-1H-benzoimidazol-2-yl}-difluoro-methyl)-3-methyl-3H-benzoimidazole-5-carboxylic acid(596803-03-1)
• EPA Substance Registry System: 2-({6-[2-(bis-benzyloxy-phosphoryl)-1-methoxycarbonyl-ethylcarbamoyl]-1H-benzoimidazol-2-yl}-difluoro-methyl)-3-methyl-3H-benzoimidazole-5-carboxylic acid(596803-03-1)

Safety Data

• Hazardous Substances Data: 596803-03-1(Hazardous Substances Data)

Upstream product

• 596802-96-9 2-[(6-Carboxy-1H-benzoimidazol-2-yl)-difluoro-methyl]-3-methyl-3H-benzoimidazole-5-carboxylic acid tert-butyl ester 
• 524940-47-4 2-[Difluoro-(6-methoxycarbonyl-1H-benzoimidazol-2-yl)-methyl]-3-methyl-3H-benzoimidazole-5-carboxylic acid tert-butyl ester 
• 596802-33-4 2-(6-Methoxycarbonyl-1H-benzoimidazol-2-ylmethyl)-3-methyl-3H-benzoimidazole-5-carboxylic acid tert-butyl ester 
• 524940-50-9 3-(bis-benzyloxy-phosphoryl)-2-tert-butoxycarbonylamino-propionic acid methyl ester 
• 524940-55-4 2-methoxycarbonylmethyl-3H-benzoimidazole-5-carboxylic acid methyl ester 
• 524940-53-2 3-methylamino-4-nitro-benzoic acid tert-butyl ester 
• 214778-10-6 3-methylamino-4-nitro-benzoic acid 
• 5081-36-7 3-methoxy-4-nitrobenzoic acid 
• 524940-48-5 2-({6-[2-(bis-benzyloxy-phosphoryl)-1-methoxycarbonyl-ethylcarbamoyl]-1H-benzoimidazol-2-yl}-difluoro-methyl)-3-methyl-3H-benzoimidazole-5-carboxylic acid tert-butyl ester 
• 160515-05-9 2-amino-3-(bis-benzyloxy-phosphoryl)-propionic acid methyl ester 
• 524940-54-3 4-amino-3-methylamino-benzoic acid tert-butyl ester 

Downstream Products

• 596807-19-1 3-(bis-benzyloxy-phosphoryl)-2-({2-[(6-{2-(bis-benzyloxy-phosphoryl)-1-[2-(bis-benzyloxy-phosphoryl)-1-carboxy-ethylcarbamoyl]-ethylcarbamoyl}-1-methyl-1H-benzoimidazol-2-yl)-difluoro-methyl]-3H-benzoimidazole-5-carbonyl}-amino)-propionic acid 
• 524940-49-6 C₇₁H₇₀F₂N₇O₁₆P₃ 

Relevant articles and documents

Highly potent non-peptidic inhibitors of the HCV NS3/NS4A serine protease

Screening of a diverse set of bisbenzimidazoles for inhibition of the hepatitis C virus (HCV) serine protease NS3/NS4A led to the identification of a potent Zn2+-dependent inhibitor (1). Optimization of this screening hit afforded a 10-fold more potent inhibitor (46) under Zn2+ conditions (Ki=27 nM). This compound (46) binds also to NS3/NS4A in a Zn2+ independent fashion (Ki=1 μM). The SAR of this class of compounds under Zn2+ conditions is highly divergent compared to the SAR in the absence of Zn2+, suggesting two distinct binding modes.