1272656-21-9

Basic information

• Product Name: 1,1-dimethylethyl 2-((2S)-3-methyl-2-(((methyloxy)carbonyl)amino)butanoyl)-3-(((2-(4'-(2-((2S)-1-((2S)-3-methyl-2-(((methyloxy)carbonyl)amino)butanoyl)-2-pyrrolidinyl)-1H-imidazol-4-yl)-4-biphenylyl)-2-oxoethyl)amino)carbonyl)-2,8-diazaspiro[4.5]decane-8-carboxylate
• Synonyms: 1,1-dimethylethyl 2-((2S)-3-methyl-2-(((methyloxy)carbonyl)amino)butanoyl)-3-(((2-(4'-(2-((2S)-1-((2S)-3-methyl-2-(((methyloxy)carbonyl)amino)butanoyl)-2-pyrrolidinyl)-1H-imidazol-4-yl)-4-biphenylyl)-2-oxoethyl)amino)carbonyl)-2,8-diazaspiro[4.5]decane-8-carboxylate
• CAS NO: 1272656-21-9
• Molecular Weight: 927.111
• Mol File: 1272656-21-9.mol

Chemical Properties

• CAS DataBase Reference: 1,1-dimethylethyl 2-((2S)-3-methyl-2-(((methyloxy)carbonyl)amino)butanoyl)-3-(((2-(4'-(2-((2S)-1-((2S)-3-methyl-2-(((methyloxy)carbonyl)amino)butanoyl)-2-pyrrolidinyl)-1H-imidazol-4-yl)-4-biphenylyl)-2-oxoethyl)amino)carbonyl)-2,8-diazaspiro[4.5]decane-8-carboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: 1,1-dimethylethyl 2-((2S)-3-methyl-2-(((methyloxy)carbonyl)amino)butanoyl)-3-(((2-(4'-(2-((2S)-1-((2S)-3-methyl-2-(((methyloxy)carbonyl)amino)butanoyl)-2-pyrrolidinyl)-1H-imidazol-4-yl)-4-biphenylyl)-2-oxoethyl)amino)carbonyl)-2,8-diazaspiro[4.5]decane-8-carboxylate(1272656-21-9)
• EPA Substance Registry System: 1,1-dimethylethyl 2-((2S)-3-methyl-2-(((methyloxy)carbonyl)amino)butanoyl)-3-(((2-(4'-(2-((2S)-1-((2S)-3-methyl-2-(((methyloxy)carbonyl)amino)butanoyl)-2-pyrrolidinyl)-1H-imidazol-4-yl)-4-biphenylyl)-2-oxoethyl)amino)carbonyl)-2,8-diazaspiro[4.5]decane-8-carboxylate(1272656-21-9)

Safety Data

• Hazardous Substances Data: 1272656-21-9(Hazardous Substances Data)

Upstream product

• 99-73-0 para-bromophenacyl bromide 
• 111398-44-8 N-methoxycarbonyl-L-valine 
• 5467-72-1 α-amino-4-bromoacetophenone hydrochloride 
• 7644-04-4 4-bromophenacylamine 
• 1007881-98-2 y 
• 1007882-04-3 (S)-tert-butyl 2-(5-(4-bromophenyl)-1H-imidazol-2-yl)pyrrolidine-1-carboxylate 
• 339185-70-5 1,1-dimethylethyl [2-(4-bromophenyl)-2-oxoethyl]carbamate 
• 1228552-27-9 ((S)-1-{(S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carbonyl}-2-methylpropyl)carbamic acid methyl ester 
• 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 
• 203934-60-5 3-ethoxycarbonyl-2,8-diazaspiro[4.5]decane-8-carboxylic acid tert-butyl ester 
• 1272656-23-1 8-(1,1-dimethylethyl) 3-ethyl 2-{N-[(methyloxy)carbonyl]-L-valyl}-2,8-diazaspiro[4.5]decane-3,8-dicarboxylate 
• 1272656-26-4 8-{[(1,1-dimethylethyl)oxy]carbonyl}-2-{N-[(methyloxy)carbonyl]-L-valyl}-2,8-diazaspiro[4.5]decane-3-carboxylic acid 
• 736989-88-1 1,1-dimethylethyl {2-oxo-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl}carbamate 
• 1272654-85-9 (S)-5-(4-bromophenyl)-2-(pyrrolidin-2-yl)-1H-imidazole hydrochloride 

Downstream Products

• 1272656-19-5 1,1-dimethylethyl 2-{N-[(methyloxy)carbonyl]-L-valyl}-3-(4-{4′-[2-((2S)-1-{N-[(methyloxy)carbonyl]-L-valyl}-2-pyrrolidinyl)-1H-imidazol-4-yl]-4-biphenylyl}-1H-imidazol-2-yl)-2,8-diazaspiro[4.5]decane-8-carboxylate 

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.

CHEMICAL COMPOUNDS

Disclosed are compounds of Formula III. Also disclosed are salts of the compounds, pharmaceutical composition comprising the compounds or salts, and methods for treating HCV infection by administration of the compounds or salts.