1272657-16-5

Basic information

• Product Name: methyl [(1S)-2-methyl-1-({(2S)-2-[4-(4′-{2-[1-((2S)-3-methyl-2-{[(methyloxy)carbonyl]amino}butanoyl)-8,8-dioxido-8-thia-1-azaspiro[4.5]dec-2-yl]-1H-imidazol-4-yl}-4-biphenylyl)-1Himidazol-2-yl]-1-pyrrolidinyl}carbonyl)propyl]carbamate
• CAS NO: 1272657-16-5
• Molecular Weight: 857.043
• Mol File: 1272657-16-5.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: methyl [(1S)-2-methyl-1-({(2S)-2-[4-(4′-{2-[1-((2S)-3-methyl-2-{[(methyloxy)carbonyl]amino}butanoyl)-8,8-dioxido-8-thia-1-azaspiro[4.5]dec-2-yl]-1H-imidazol-4-yl}-4-biphenylyl)-1Himidazol-2-yl]-1-pyrrolidinyl}carbonyl)propyl]carbamate(CAS DataBase Reference)
• NIST Chemistry Reference: methyl [(1S)-2-methyl-1-({(2S)-2-[4-(4′-{2-[1-((2S)-3-methyl-2-{[(methyloxy)carbonyl]amino}butanoyl)-8,8-dioxido-8-thia-1-azaspiro[4.5]dec-2-yl]-1H-imidazol-4-yl}-4-biphenylyl)-1Himidazol-2-yl]-1-pyrrolidinyl}carbonyl)propyl]carbamate(1272657-16-5)
• EPA Substance Registry System: methyl [(1S)-2-methyl-1-({(2S)-2-[4-(4′-{2-[1-((2S)-3-methyl-2-{[(methyloxy)carbonyl]amino}butanoyl)-8,8-dioxido-8-thia-1-azaspiro[4.5]dec-2-yl]-1H-imidazol-4-yl}-4-biphenylyl)-1Himidazol-2-yl]-1-pyrrolidinyl}carbonyl)propyl]carbamate(1272657-16-5)

Safety Data

• Hazardous Substances Data: 1272657-16-5(Hazardous Substances Data)

Upstream product

• 1312695-64-9 C₇H₁₁BrO₂S 
• 22515-18-0 4,4-difluorocyclohexanone 
• 1256388-43-8 methyl {(1S)-1-[((2S)-2-{4-[4′-(aminoacetyl)-4-biphenylyl]-1H-imidazol-2-yl}-1-pyrrolidinyl)carbonyl]-2-methylpropyl}-carbamate 
• 1571137-31-9 C₁₆H₂₆N₂O₇S 
• 1256386-05-6 1,1-dimethylethyl[2-(4'-{2-[(2S)-1-((2S)-3-methyl-2-{[(methyloxy)carbonyl] amino}butanoyl)-2-pyrrolidinyl]-1H-imidazol-4-yl}-4-biphenylyl)-2-oxoethyl]carbamate 
• 1255936-24-3 4-(4-bromophenyl)-2-[(2S)-2-pyrrolidinyl]-1H-imidazole 
• 736989-88-1 1,1-dimethylethyl {2-oxo-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl}carbamate 
• 1228552-27-9 ((S)-1-{(S)-2-[4-(4-bromo-phenyl)-1H-imidazol-2-yl]-pyrrolidine-1-carbonyl}-2-methyl-propyl)-carbamic acid methyl ester 
• 1007882-04-3 (S)-2-[4-(4-bromo-phenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid tert-butyl ester 
• 1007881-98-2 y 
• 339185-70-5 1,1-dimethylethyl [2-(4-bromophenyl)-2-oxoethyl]carbamate 
• 99-73-0 para-bromophenacyl bromide 
• 1283719-20-9 ethyl 2-(4,4-difluorocyclohexylidene)-acetate 
• 7644-04-4 4-bromophenacylamine 

Relevant articles and documents

Novel spiroketal pyrrolidine GSK2336805 potently inhibits key hepatitis C virus genotype 1b mutants: From lead to clinical compound

Rapid clinical progress of hepatitis C virus (HCV) replication inhibitors, including these selecting for resistance in the NS5A region (NS5A inhibitors), promises to revolutionize HCV treatment. Herein, we describe our explorations of diverse spiropyrrolidine motifs in novel NS5A inhibitors and a proposed interaction model. We discovered that the 1,4-dioxa-7-azaspiro[4.4]nonane motif in inhibitor 41H (GSK2236805) supported high potency against genotypes 1a and 1b as well as in genotype 1b L31V and Y93H mutants. Consistent with this, 41H potently suppressed HCV RNA in the 20-day RNA reduction assay. Pharmacokinetic and safety data supported further progression of 41H to the clinic.