1890114-11-0

Basic information

• Product Name: (2S,2'S)-[[(2R, 5R)-1-[3,5-difluoro-4-(4-(4- fluorophenyl)-1-piperidinyl)phenyl]-2,5-pyrrolidinediyl]bis[6-fluoro-2-(2S)-2-pyrrolidinyl 1H-benzimidzol e-2,5-diyl)]bis(1-pyrrolidinecarboxylic acid, 1,1'-bis(1,1'-dimethylethyl)ester
• Synonyms: (2S,2'S)-[[(2R, 5R)-1-[3,5-difluoro-4-(4-(4- fluorophenyl)-1-piperidinyl)phenyl]-2,5-pyrrolidinediyl]bis[6-fluoro-2-(2S)-2-pyrrolidinyl 1H-benzimidzol e-2,5-diyl)]bis(1-pyrrolidinecarboxylic acid, 1,1'-bis(1,1'-dimethylethyl)ester;(2S,2,S)-2,2,-[[(2R,5R)-1-[3,5-Difluoro-4-[4-(4-fluorophenyl)-1-piperidinyl]phenyl]-2,5-pyrrolidinediyl]bis(6-fluoro-1H-benzimidazole-5,2-diyl)]bis-1-
• CAS NO: 1890114-11-0
• Molecular Formula: C53H59F5N8O4
• Molecular Weight: 967.1
• Mol File: 1890114-11-0.mol
• Article Data: 2

Chemical Properties

• Appearance: /
• Density: 1.334±0.06 g/cm3(Predicted)
• PKA: 9.76±0.10(Predicted)
• CAS DataBase Reference: (2S,2'S)-[[(2R, 5R)-1-[3,5-difluoro-4-(4-(4- fluorophenyl)-1-piperidinyl)phenyl]-2,5-pyrrolidinediyl]bis[6-fluoro-2-(2S)-2-pyrrolidinyl 1H-benzimidzol e-2,5-diyl)]bis(1-pyrrolidinecarboxylic acid, 1,1'-bis(1,1'-dimethylethyl)ester(CAS DataBase Reference)
• NIST Chemistry Reference: (2S,2'S)-[[(2R, 5R)-1-[3,5-difluoro-4-(4-(4- fluorophenyl)-1-piperidinyl)phenyl]-2,5-pyrrolidinediyl]bis[6-fluoro-2-(2S)-2-pyrrolidinyl 1H-benzimidzol e-2,5-diyl)]bis(1-pyrrolidinecarboxylic acid, 1,1'-bis(1,1'-dimethylethyl)ester(1890114-11-0)
• EPA Substance Registry System: (2S,2'S)-[[(2R, 5R)-1-[3,5-difluoro-4-(4-(4- fluorophenyl)-1-piperidinyl)phenyl]-2,5-pyrrolidinediyl]bis[6-fluoro-2-(2S)-2-pyrrolidinyl 1H-benzimidzol e-2,5-diyl)]bis(1-pyrrolidinecarboxylic acid, 1,1'-bis(1,1'-dimethylethyl)ester(1890114-11-0)

Safety Data

• Hazardous Substances Data: 1890114-11-0(Hazardous Substances Data)

Usage

Uses

(2S,2''S)-[[(2R,5R)-1-[3,5-Difluoro-4-[4-(4-fluorophenyl)-1-piperidinyl]phenyl]-2,5-pyrrolidinediyl]bis(6-fluoro-1H-benzimidazole-5,2-diyl)]bis-1-pyrrolidinecarboxylic Acid 1,1''-Bis(1,1-dimethylethyl) Ester is an antiviral agent and Pibrentasvir (1353900-92-1) intermediate.

Upstream product

• 1332356-31-6 3,5-difluoro-4-(4-(4-fluorophenyl)piperidin-1-yl)aniline 
• 565459-90-7 1-(2,6-difluoro-4-nitrophenyl)piperidin-4-one 
• 1292836-16-8 1-(4-chloro-2-fluoro-5-nitrophenyl)ethanone 
• 66684-58-0 3,4,5-trifluoronitrobenzene 
• 177-11-7 4,4-ethylenedioxy-piperidine 
• 35112-05-1 4-chloro-2-fluoro-5-nitro-benzoic acid 
• 1332356-41-8 C₁₃H₁₄F₂N₂O₄ 
• 947311-91-3 4-chloro-2-fluoro-5-nitro-benzoyl chloride 

Downstream Products

• 1332357-14-8 (S)-6,6'-((2R,5R)-1-(3,5-difluoro-4-(4-(4-fluorophenyl)piperidin-1-yl)phenyl)pyrrolidine-2,5-diyl)bis(5-fluoro-2-((S)pyrrolidin-2-yl)-1hbenzo[d]imidazole) 

Relevant articles and documents

PROCESS FOR MANUFACTURING PIBRENTASVIR ACTIVE DRUG SUBSTANCE

The present invention relates to compositions of pibrentasvir, drug products thereof, and processes and intermediates for the preparation thereof. This invention relates to the drug product, active drug substance, intermediates, and processes of pibrentasvir, a NS5A inhibitor that is useful in the treatment of hepatitis C.