Introduction：Basic information about CAS 1314795-11-3|Radalbuvir, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Radalbuvir |
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| CAS Number | 1314795-11-3 | Molecular Weight | 543.715 |
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| Density | 1.3±0.1 g/cm3 | Boiling Point | 721.2±60.0 °C at 760 mmHg |
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| Molecular Formula | C30H41NO6S | Melting Point | / |
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| MSDS | / | Flash Point | 389.9±32.9 °C |
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Names
| Name | radalbuvir |
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| Synonym | More Synonyms |
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Radalbuvir BiologicalActivity
| Description | Radalbuvir (GS-9669) is a non-nucleoside inhibitor of nonstructural protein 5B (NS5B) RNA-dependent RNA polymerase (RdRp). Radalbuvir shows strong anti-HCV potency (GT1a intrinsic EC50 = 2.9 nM, GT1b EC50 = 6 nM)[1]. |
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| Related Catalog | Signaling Pathways >>Anti-infection >>HCVResearch Areas >>Infection |
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| In Vitro | Radalbuvir (GS-9669) shows high in vitro metabolic stability, long residence time in rats, and maintained high activity against the NS5B M423T mutation (GT1b M423T EC50 = 14 nM)[1]. |
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| References | [1]. Zhou Z, et al. Small molecule NS5B RdRp non-nucleoside inhibitors for the treatment of HCV infection: A medicinal chemistry perspective. Eur J Med Chem. 2022 Jul 8;240:114595. |
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Chemical & Physical Properties
| Density | 1.3±0.1 g/cm3 |
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| Boiling Point | 721.2±60.0 °C at 760 mmHg |
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| Molecular Formula | C30H41NO6S |
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| Molecular Weight | 543.715 |
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| Flash Point | 389.9±32.9 °C |
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| Exact Mass | 543.265442 |
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| LogP | 4.17 |
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| Vapour Pressure | 0.0±2.4 mmHg at 25°C |
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| Index of Refraction | 1.599 |
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| InChIKey | MUICUPWICXUNRS-UVXQUXCMSA-N |
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| SMILES | CC1=CCC(C(=O)N(c2cc(C#CC(C)(C)C)sc2C(=O)O)C2CCC(O)(COC3CCOC3)CC2)CC1 |
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Synonyms
| 5-(3,3-Dimethyl-1-butyn-1-yl)-3-[(cis-4-hydroxy-4-{[(3S)-tetrahydro-3-furanyloxy]methyl}cyclohexyl){[(1R)-4-methyl-3-cyclohexen-1-yl]carbonyl}amino]-2-thiophenecarboxylic acid |
| radalbuvir |
| UNII-273K4V0SPC |
| 2-Thiophenecarboxylic acid, 5-(3,3-dimethyl-1-butyn-1-yl)-3-[[cis-4-hydroxy-4-[[[(3S)-tetrahydro-3-furanyl]oxy]methyl]cyclohexyl][[(1R)-4-methyl-3-cyclohexen-1-yl]carbonyl]amino]- |
