Introduction：Basic information about CAS 958002-33-0|Beclabuvir, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Beclabuvir |
|---|
| CAS Number | 958002-33-0 | Molecular Weight | 659.838 |
|---|
| Density | 1.5±0.1 g/cm3 | Boiling Point | / |
|---|
| Molecular Formula | C36H45N5O5S | Melting Point | / |
|---|
| MSDS | / | Flash Point | / |
|---|
Names
| Name | Beclabuvir |
|---|
| Synonym | More Synonyms |
|---|
Beclabuvir BiologicalActivity
| Description | Beclabuvir is an allosteric inhibitor that binds to thumb site 1 of the hepatitis C virus (HCV) NS5B RNA-dependent RNA polymerase, and inhibits recombinant NS5B proteins from HCV genotypes 1, 3, 4, and 5 with IC50 of < 28 nM. |
|---|
| Related Catalog | Signaling Pathways >>Metabolic Enzyme/Protease >>HCV ProteaseSignaling Pathways >>Anti-infection >>HCVResearch Areas >>Infection |
|---|
| Target | IC50: < 28 nM (NS5B protein) |
|---|
| In Vitro | Beclabuvir demonstrates additive or synergistic antiviral activity with pegIFN/RBV and in 2- or 3-drug combinations with a range of DAAs, such as HCV NS3 protease inhibitors, NS5A inhibitors' and/or nucleoside NS5B inhibitors[2]. |
|---|
| In Vivo | The combination of beclabuvir with asunaprevir and daclatasvir achieves very high rates of viral eradication (about 90%) in patients infected with HCV genotype 1, which is the most common genotype worldwide[1]. |
|---|
| References | [1]. Gentile I, et al. Beclabuvir for the treatment of hepatitis C. Expert Opin Investig Drugs. 2015;24(8):1111-21. [2]. Tatum H, et al. A randomized, placebo-controlled study of the NS5B inhibitor beclabuvir with peginterferon/ribavirin for HCV genotype 1. J Viral Hepat. 2015 Aug;22(8):658-64. |
|---|
Chemical & Physical Properties
| Density | 1.5±0.1 g/cm3 |
|---|
| Molecular Formula | C36H45N5O5S |
|---|
| Molecular Weight | 659.838 |
|---|
| Exact Mass | 659.314148 |
|---|
| LogP | 4.71 |
|---|
| Index of Refraction | 1.722 |
|---|
| InChIKey | ZTTKEBYSXUCBSE-VSBZUFFNSA-N |
|---|
| SMILES | COc1ccc2c(c1)C1CC1(C(=O)N1C3CCC1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 |
|---|
| Storage condition | 2-8℃ |
|---|
Synonyms
| Beclabuvir |
| (1aR,12bS)-8-Cyclohexyl-N-(dimethylsulfamoyl)-11-methoxy-1a-{[(1R,5S)-3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl]carbonyl}-1,1a,2,12b-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepine-5-carboxamide |
| Cycloprop[d]indolo[2,1-a][2]benzazepine-5-carboxamide, 8-cyclohexyl-N-[(dimethylamino)sulfonyl]-1,1a,2,12b-tetrahydro-11-methoxy-1a-[[(1R,5S)-3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl]carbonyl]-, (1aR,12bS)- |
| MYW1X5CO9S |
| BMS-791325 |
