1007882-23-6

Basic information

• Product Name: 1-Pyrrolidinecarboxylic acid, 2,2'-([1,1'-biphenyl]-4,4'-diyldi-1H-iMidazole-5,2-diyl)bis-, 1,1'-bis(1,1-diMethylethyl) ester, (2S,2'S)-
• Synonyms: (2S,2'S)-2,2'-[(1,1'-biphenyl)-4,4'-diyldi-1H-imidazole-5,2-diyl]bis-1-pyrrolidinecarboxylic acid ,1,1'-bis(1,1-dimethylethyl) ester;Daclatasvir Intermediates Ⅱ;Dacaltasvir Intermediate 02;Daclatasvir Intermediates;Daclatasvir Intermediates 4;Bis(2-methyl-2-propanyl) (2S,2'S)-2,2'-[4,4'-biphenyldiylbis(1H-imidazole-4,2-diyl)]di(1-pyrrolidinecarboxylate);di-tert-butyl2,2'-([1,1'-biphenyl]-4,4'-diylbis(1H-imidazole-5,2-diyl))(2S,2'S)-bis(pyrrolidine-1-carboxylate);Methyl-N-[(2S)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
• CAS NO: 1007882-23-6
• Molecular Formula: C₃₆H₄₄N₆O₄
• Molecular Weight: 624.77236
• EINECS: 1592732-453-0
• Product Categories: API
• Mol File: 1007882-23-6.mol
• Article Data: 21

Chemical Properties

• Boiling Point: 890.2±65.0 °C(Predicted)
• Appearance: /
• Density: 1.220±0.06 g/cm3(Predicted)
• Storage Temp.: 2-8°C
• PKA: 12.83±0.10(Predicted)
• CAS DataBase Reference: 1-Pyrrolidinecarboxylic acid, 2,2'-([1,1'-biphenyl]-4,4'-diyldi-1H-iMidazole-5,2-diyl)bis-, 1,1'-bis(1,1-diMethylethyl) ester, (2S,2'S)-(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Pyrrolidinecarboxylic acid, 2,2'-([1,1'-biphenyl]-4,4'-diyldi-1H-iMidazole-5,2-diyl)bis-, 1,1'-bis(1,1-diMethylethyl) ester, (2S,2'S)-(1007882-23-6)
• EPA Substance Registry System: 1-Pyrrolidinecarboxylic acid, 2,2'-([1,1'-biphenyl]-4,4'-diyldi-1H-iMidazole-5,2-diyl)bis-, 1,1'-bis(1,1-diMethylethyl) ester, (2S,2'S)-(1007882-23-6)

Safety Data

• Hazardous Substances Data: 1007882-23-6(Hazardous Substances Data)

Usage

Uses

(2S,2''S)-2,2''-([1,1''-Biphenyl]-4,4''-diyldi-1H-imidazole-5,2-diyl)bis-1-pyrrolidinecarboxylic Acid 1,1''-Bis(1,1-dimethylethyl) Ester is an antiviral agent and Daclatasvir (D101500) intermediate. Daclatasvir inhibits the HCV protein NS5A and thus can be used as a drug candidate for the treatment of hepatitis C (HCV).

Upstream product

• 24860-53-5 1,1’-(biphenyl-4,4’diyl)bis(2-chloroethanone) 
• 69610-41-9 Boc-L-Pro-H 
• 4072-67-7 4,4'-bis(bromoacetyl)biphenyl 
• 1007881-98-2 y 
• 1009119-82-7 1,2-pyrrolidinedicarboxylic acid, 2,2’-[[1,1’-biphenyl]-4,4’-diylbis(2-oxo-2,1-ethanediyl)] bis[1-(1,1-dimethylethyl)] ester, (2S)- 
• 1007882-04-3 (S)-tert-butyl 2-(5-(4-bromophenyl)-1H-imidazol-2-yl)pyrrolidine-1-carboxylate 
• 1007882-12-3 (S)-tert-butyl 2-(5-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1H-imidazol-2-yl)pyrrolidine-1-carboxylate 
• 14221-01-3 tetrakis(triphenylphosphine) palladium⁽⁰⁾ 
• 5467-72-1 α-amino-4-bromoacetophenone hydrochloride 
• 15761-39-4 1-(tert-butoxycarbonyl)-L-proline 

Downstream Products

• 1007882-27-0 2-[(2S)-pyrrolidin-2-yl]-5-[4-(4-{2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl}phenyl)phenyl]-1H-imidazole 
• 1009119-83-8 methyl N-[(2S)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate hydrochloride 
• 1312336-87-0 C₃₆H₄₂Br₂N₆O₄ 
• 1388224-19-8 C₃₆H₄₂Cl₂N₆O₄ 
• 1312338-86-5 C₃₆H₄₂I₂N₆O₄ 
• 1388224-20-1 C₃₆H₄₂F₂N₆O₄ 
• 1373165-16-2 C₃₆H₄₃FN₆O₄ 
• 1007884-60-7 methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-{5-[4-(4-{2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl}phenyl)phenyl]-1H-imidazol-2-yl}pyrrolidin-1-yl]butan-2-yl]carbamate 
• 1009119-83-8 1H-imidazole,5,5'-[1,1'-biphenyl]-4,4'-bis[2-(2S)-2-pyrrolidine-2yl hydrochloride] 

Relevant articles and documents

Design and synthesis of imidazole N-H substituted amide prodrugs as inhibitors of hepatitis C virus replication

Abstract Twenty-five novel imidazole N-H substituted Daclatasvir (BMS-790052, DCV) analogues (8a-8y) were designed and synthesized as potential prodrugs. Structure modifications were performed in order to improve potency and pharmacokinetic (PK) properties. All target compounds were evaluated in a hepatitis C virus (HCV) genotype 1b replicon, and the 2-oxoethyl acetate substituted compound 8t showed similar anti-HCV activity (EC50 = 0.08 nM) to that of the lead compound Daclatasvir. Moreover, the utility of prodrug 8t was demonstrated through similar exposure of the parent compound when the prodrugs were dosed in vivo. PK studies showed that prodrug 8t was an ideal candidate for a slower and sustained release form of Daclatasvir.

MICRO-ELECTROLYSIS REACTOR FOR ULTRA FAST, OXIDANT FREE, C-C COUPLING REACTION AND SYNTHESIS OF DACLATASVIR ANALOGS THEREOF

The present invention relates to a continuous micro-electro-flow reactor system for ultra-fast, oxidant free, C—C coupling reaction for making symmetrical biaryls and analogs thereof. This invention further relates to the said process for preparation of antiviral drug, daclatasvir of general formula I.

PROCESS FOR PREPARATION OF DACLATASVIR AND SALTS

The present invention relates to crystalline daclatasvir dihydrochloride hydrate and process for its preparation.

Anti-hepatitis C Daclatasvir synthesis method

The invention discloses an anti-hepatitis C Daclatasvir synthesis method. The anti-hepatitis C Daclatasvir synthesis method comprises the following steps that 1, 4,4'-di(2-chloracetyl) biphenyl and Boc-L-proline perform condensation to generate ester; 2,