1352212-67-9

Basic information

• Product Name: methyl {(2S)-1-[(2S)-2-{4-[4-(5-bromopyrazin-2-yl)phenyl]-1H-imidazol-2-yl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl}carbamate
• Synonyms: methyl {(2S)-1-[(2S)-2-{4-[4-(5-bromopyrazin-2-yl)phenyl]-1H-imidazol-2-yl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl}carbamate
• CAS NO: 1352212-67-9
• Molecular Weight: 527.421
• Mol File: 1352212-67-9.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: methyl {(2S)-1-[(2S)-2-{4-[4-(5-bromopyrazin-2-yl)phenyl]-1H-imidazol-2-yl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl}carbamate(CAS DataBase Reference)
• NIST Chemistry Reference: methyl {(2S)-1-[(2S)-2-{4-[4-(5-bromopyrazin-2-yl)phenyl]-1H-imidazol-2-yl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl}carbamate(1352212-67-9)
• EPA Substance Registry System: methyl {(2S)-1-[(2S)-2-{4-[4-(5-bromopyrazin-2-yl)phenyl]-1H-imidazol-2-yl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl}carbamate(1352212-67-9)

Safety Data

• Hazardous Substances Data: 1352212-67-9(Hazardous Substances Data)

Upstream product

• 1352212-71-5 C₂₂H₂₄BrN₅O₂ 
• 1363637-27-7 C₁₇H₁₆BrN₅ 
• 111398-44-8 N-methoxycarbonyl-L-valine 
• 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 
• 1352212-71-5 tert-butyl (2S)-2-{4-[4-(5-bromopyrazin-2-yl)phenyl]-1H-imidazol-2-yl}pyrrolidine-1-carboxylate 
• 1272654-85-9 (S)-5-(4-bromophenyl)-2-(pyrrolidin-2-yl)-1H-imidazole hydrochloride 
• 1228552-27-9 ((S)-1-{(S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carbonyl}-2-methylpropyl)carbamic acid methyl ester 
• 128120-93-4 (S)-pyrrolidine-1,2-dicarboxylic acid 2-[2-(4-bromophenyl)-2-oxoethyl]ester 1-tert-butyl ester 
• 1007882-04-3 (S)-tert-butyl 2-(5-(4-bromophenyl)-1H-imidazol-2-yl)pyrrolidine-1-carboxylate 
• 1228553-33-0 [(S)-2-methyl-1-((S)-2-{4-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl}pyrrolidine-1-carbonyl)propyl]carbamic acid methyl ester 
• 622392-04-5 2-bromo-5-iodo-pyrazine 
• 15761-39-4 1-(tert-butoxycarbonyl)-L-proline 
• 72-18-4 L-valine 
• 1352212-75-9 (2S)-2-{4-[4-(5-bromopyrazin-2-yl)phenyl]-1H-imidazol-2-yl}pyrrolidine methane sulfonate 

Relevant articles and documents

The discovery of potent nonstructural protein 5A (NS5A) inhibitors with a unique resistance profile - Part 2

In ongoing studies towards novel hepatitis C virus (HCV) therapeutics, inhibitors of nonstructural protein 5A (NS5A) were evaluated. Specifically, starting from previously reported lead compounds, peripheral substitution patterns of a series of biaryl-linked pyrrolidine NS5A replication complex inhibitors were probed and structure-activity relationships were elucidated. Using molecular modelling and a supercritical fluid chromatographic (SFC) technique, intramolecular H-bonding and peripheral functional group topology were evaluated as key determinants of activity and membrane permeability. The novel compounds exhibited retained potency as compared with the lead compounds, and also showed promising results against a panel of resistance viruses. Together, the results of the study take us a step closer towards understanding the potency of daclatasvir, a clinical candidate upon which the compounds were based, and to designing improved analogues as second-generation antiviral agents targeting NS5A. Refining the resistance: An investigation into the anti-hepatitis C virus (HCV) replicon activity of a series of biaryl-linked prolinamide NS5A inhibitors explored intramolecular H-bonding and peripheral functional group topology as key determinants of activity and membrane permeability. Studies of several peripheral group molecular designs resulted in compounds with improved aqueous solubility and a unique resistance profile.