-
Antiviral API
- Arenavirus
- Cytomegalovirus (CMV)
- Dengue virus
- Endogenous Metabolite
- Enterovirus (EV)
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- Human immunodeficiency Virus (HIV)
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- West Nile virus
- Antiviral intermediates
Lenacapavir
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| Category | Hepatitis C Virus (HCV) |
| CAS | 2189684-44-2 |
| Description | Lenacapavir is a HIV-1 capsid inhibitor. |
Product Information
| Synonyms | GS-6207; GS 6207; GS6207 |
| IUPAC Name | N-[(1S)-1-[3-[4-chloro-3-(methanesulfonamido)-1-(2,2,2-trifluoroethyl)indazol-7-yl]-6-(3-methyl-3-methylsulfonylbut-1-ynyl)pyridin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide |
| Molecular Weight | 968.3 |
| Molecular Formula | C39H32ClF10N7O5S2 |
| Canonical SMILES | CC(C)(C#CC1=NC(=C(C=C1)C2=C3C(=C(C=C2)Cl)C(=NN3CC(F)(F)F)NS(=O)(=O)C)C(CC4=CC(=CC(=C4)F)F)NC(=O)CN5C6=C(C7CC7C6(F)F)C(=N5)C(F)(F)F)S(=O)(=O)C |
| InChI | InChI=1S/C39H32ClF10N7O5S2/c1-36(2,63(3,59)60)10-9-21-5-6-22(23-7-8-26(40)30-32(23)57(17-37(43,44)45)54-35(30)55-64(4,61)62)31(51-21)27(13-18-11-19(41)14-20(42)12-18)52-28(58)16-56-34-29(33(53-56)39(48,49)50)24-15-25(24)38(34,46)47/h5-8,11-12,14,24-25,27H,13,15-17H2,1-4H3,(H,52,58)(H,54,55)/t24-,25+,27-/m0/s1 |
| InChIKey | BRYXUCLEHAUSDY-WEWMWRJBSA-N |
| Purity | 97% (mixture of two isomers) |
| Solubility | In Vitro: DMSO : 200 mg/mL(206.55 mM;Need ultrasonic) In Vivo: 1.Add each solvent one by one:10% DMSO >> 90%corn oil Solubility: ≥ 6.25 mg/mL (6.45 mM); Clear solution 2.Add each solvent one by one:5% DMSO >> 40%PEG300 >> 5%Tween-80 >> 50% saline Solubility: 2.5 mg/mL (2.58 mM); Suspended solution; Need ultrasonic |
| Appearance | White to light yellow solid |
| Storage | -20 °C |
| Complexity | 2040 |
| Exact Mass | 967.1435188 |
| In Vitro | Lenacapavir (GS-6207) is a potent capsid-targeting inhibitor of HIV replication. Lenacapavir shows sub-nanomolar potency in target cells (EC50=23 pM), in a full-cycle assay (EC50=25 pM) and in producer cells (EC50=439 pM). Lenacapavir interferes with both the early and late stages of HIV-1 replication but exhibits greater potency against the early stage. |
| Target | EC50: 100 pM (anti-HIV; in MT-4 cells) |
| XLogP3-AA | 6.4 |