-
Antiviral API
- Arenavirus
- Cytomegalovirus (CMV)
- Dengue virus
- Endogenous Metabolite
- Enterovirus (EV)
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- Flavivirus
- HCV Protease
- Hepatitis B Virus (HBV)
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- Herpes simplex Virus (HSV)
- HIF/HIF Prolyl-Hydroxylase
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- HIV Protease
- Human immunodeficiency Virus (HIV)
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- Rabies virus (RABV)
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- SARS-CoV
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- West Nile virus
- Antiviral intermediates
Lomibuvir
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| Category | Hepatitis C Virus (HCV) |
| CAS | 1026785-55-6 |
| Description | Lomibuvir is an nonnucleoside NS5B polymerase inhibitor. It inhibits the 1b/Con1 HCV subgenomic replicon. It binds to the HCV polymerase with dissociation constants of 17 nM. It demonstrated effective antiviral efficacy and may be used for the treatment of HCV. It was developed by ViroChem Pharma, which was acquired by Vertex Pharmaceuticals in 2009. It is in clinical phase 2 with no progress. |
Product Information
| Synonyms | 2-Thiophenecarboxylic acid, 5-(3,3-dimethyl-1-butyn-1-yl)-3-[(trans-4-hydroxycyclohexyl)[(trans-4-methylcyclohexyl)carbonyl]amino]-; 5-(3,3-Dimethyl-1-butyn-1-yl)-3-[(trans-4-hydroxycyclohexyl)[(trans-4-methylcyclohexyl)carbonyl]amino]-2-thiophenecarboxylic acid; 5-(3,3-Dimethyl-1-butynyl)-3-[(trans-4-hydroxycyclohexyl)[(trans-4-methylcyclohexyl)carbonyl]amino]thiophene-2-carboxylic acid; VCH 222; VX 222 |
| IUPAC Name | 5-(3,3-dimethylbut-1-yn-1-yl)-3-((1r,4R)-N-((1r,4R)-4-hydroxycyclohexyl)-4-methylcyclohexane-1-carboxamido)thiophene-2-carboxylic acid |
| Molecular Weight | 445.62 |
| Molecular Formula | C25H35NO4S |
| Canonical SMILES | O=C(O)C=1SC(C#CC(C)(C)C)=CC1N(C(=O)C2CCC(C)CC2)C3CCC(O)CC3 |
| InChI | InChI=1S/C25H35NO4S/c1-16-5-7-17(8-6-16)23(28)26(18-9-11-19(27)12-10-18)21-15-20(13-14-25(2,3)4)31-22(21)24(29)30/h15-19,27H,5-12H2,1-4H3,(H,29,30)/t16-,17-,18-,19- |
| InChIKey | WPMJNLCLKAKMLA-VVPTUSLJNA-N |
| Boiling Point | 640.5±55.0°C at 760 mmHg |
| Flash Point | 341.2±31.5 °C |
| Purity | >98 % |
| Density | 1.21±0.1 g/cm3 |
| Solubility | Soluble in DMSO (10 mM) |
| Appearance | Solid powder |
| Application | Lomibuvir demonstrated effective antiviral efficacy and may be used for the treatment of HCV. |
| Shelf Life | 2 month in rt, long time |
| Storage | Store at -20°C |
| Complexity | 717 |
| Exact Mass | 445.22867977 |
| Index Of Refraction | 1.589 |
| In Vitro | Lomibuvir (VX-222) inhibits WT HCV 1b/Con1 replicon with an EC50 of 5.2 nM. Lomibuvir inhibits M423T, L419M and I482L (mutant replicons) with EC50s of 79.8, 563.1, 45.3 nM, respectively. Lomibuvir reduces de novo initiation slightly but also shows strong inhibition of primer extension. The IC50 of Lomibuvir for primer-extended RNA synthesis is 31 nM. Lomibuvir is a non-nucleoside, allosteric inhibitor of the hepatitis C virus NS5B polymerase. |
| PSA | 106.08000 |
| Target | DNA/RNA Synthesis; HCV |
| Vapor Pressure | 0.0±2.0 mmHg at 25°C |
| XLogP3-AA | 5.9 |