Account Coblopasvir
- Catalog No. :
- ACDTXM582
- CAS No. :
- 1312608-46-0
- Molecular Formula :
- C41H50N8O8
- Molecular Weight :
- 782.90
IUPAC Name:methyl ((S)-1-((S)-2-(5-(7-(4-(2-((S)-1-((methoxycarbonyl)-L-valyl)pyrrolidin-2-yl)-1H-imidazol-5-yl)phenyl)benzo[d][1,3]dioxol-4-yl)-1H-imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate
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Product Information
| Product Name | Coblopasvir |
|---|---|
| IUPAC Name | methyl ((S)-1-((S)-2-(5-(7-(4-(2-((S)-1-((methoxycarbonyl)-L-valyl)pyrrolidin-2-yl)-1H-imidazol-5-yl)phenyl)benzo[d][1,3]dioxol-4-yl)-1H-imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate |
| Molecular Formula | C41H50N8O8 |
| Molecular Weight | 782.90 |
| SMILES | O=C(OC)N[C@H](C(N1[C@H](C2=NC=C(C3=CC=C(C4=C5OCOC5=C(C6=CN=C([C@H]7N(C([C@@H](NC(OC)=O)C(C)C)=O)CCC7)N6)C=C4)C=C3)N2)CCC1)=O)C(C)C |
| InChI Key | JBYJTCVXUMWTJJ-YRCZKMHPSA-N |
| Synonym | Methyl((S)-1-((S)-2-(4-(7-(4-(4-((S))))))1H-imidazol-4-yl)phenyl)benzo[d][1,3]dioxol-4-yl)-1H-imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate;KW-136;methyl((S)-1-((S)-2-(4-(7-(4-(2-((S)-1-((methoxycarbonyl)-D-valyl)pyrrolidin-2-yl)-1H-imidazol-4-yl)phenyl)benzo[d][1,3]dioxol-4-yl)-1H-imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate;EOS-61274;Carbamic acid, N-[(1S)-1-[[(2S)-2-[5-[4-[7-[2-[(2S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-1H-imidazol-5-yl]-1,3-benzodioxol-4-yl]phenyl]-1H-imidazol-2-yl]-1-pyrrolidinyl]carbonyl]-2-methylpropyl]-, methyl ester;KW-136,KW136,chronic hepatitis C virus infection,HCV Protease,Coblopasvir,NS5A,Hepatitis C virus,inhibit,KW 136,Inhibitor,pangenotypic regimen,HCV |
| CAS No. | 1312608-46-0 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
Synthetic Route by SureRoute
2. ACDTXM582 Molecular Building Block Synthetic Route
Methyl ((S)-1-((S)-2-(5-(7-(4-(2-((S)-1-((methoxycarbonyl)-L-valyl)pyrrolidin-2-yl)-1H-imidazol-5-yl)phenyl)benzo[d][1,3]dioxol-4-yl)-1H-imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate dihydrochloride
Methyl ((S)-1-((S)-2-(4-(4'-amino-[1,1'-biphenyl]-4-yl)-1H-imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate
Methyl ((S)-1-((S)-2-(5-(4'-(2-((S)-1-((methoxycarbonyl)-L-valyl)pyrrolidin-2-yl)-1H-imidazol-5-yl)-[1,1'-biphenyl]-4-yl)-1H-imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate