Lenacapavir sodiumProduct ingredient for Lenacapavir
- Name
- Lenacapavir sodium
- Drug Entry
- Lenacapavir
HIV/AIDS remains an area of concern despite the introduction of numerous successful therapies, mainly due to the emergence of multidrug resistance and patient difficulty in adhering to treatment regimens.1,2 Lenacapavir is a first-in-class capsid inhibitor that demonstrates picomolar HIV-1 inhibition as a monotherapy in vitro, little to no cross-resistance with existing antiretroviral agents, and extended pharmacokinetics with subcutaneous dosing.1,2,3,5
Lenacapavir was first globally approved on August 22, 2022 by the European Commission to treat adults with multi-drug resistant HIV infection.7 On December 22, 2022, it was also approved by the FDA.9
- Accession Number
- DBSALT003483
- Structure
Structure for Lenacapavir sodium (DBSALT003483)
- Synonyms
- 1H-CYCLOPROPA(3,4)CYCLOPENTA(1,2-C)PYRAZOLE-1-ACETAMIDE, N-((1S)-1-(3-(4-CHLORO-3-((METHYLSULFONYL)AMINO)-1-(2,2,2-TRIFLUOROETHYL)-1H-INDAZOL-7-YL)-6-(3-METHYL-3-(METHYLSULFONYL)-1-BUTYN-1-YL)-2-PYRIDINYL)-2-(3,5-DIFLUOROPHENYL)ETHYL)-5,5-DIFLUORO-3B,4,4 / GS-HIV SODIUM / N-((1S)-1-(3-(4-CHLORO-3-(METHANESULFONAMIDO)-1-(2,2,2-TRIFLUOROETHYL)-1H-INDAZOL-7-YL)-6-(3-(METHANESULFONYL)-3-METHYLBUT-1-YN-1-YL)PYRIDIN-2-YL)-2-(3,5-DIFLUOROPHENYL)ETHYL)-2-((3BS,4AR)-5,5-DIFLUORO-3-(TRIFLUOROMETHYL)-3B,4,4A,5-TETRAHYDRO1H-CYCLOPROP / SUNLENCA
- External IDs
- GS-6207-02
- UNII
- BDT58WJ9WE
- CAS Number
- 2283356-12-5
- Weight
- Average: 990.26
Monoisotopic: 989.1254631 - Chemical Formula
- C39H31ClF10N7NaO5S2
- InChI Key
- SSXPGMNGIORJAQ-PZNXWHLTSA-M
- InChI
- InChI=1S/C39H32ClF10N7O5S2.Na/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,(H2,52,54,55,58);/q;+1/p-1/t24-,25+,27-;/m0./s1
- IUPAC Name
- sodium N-[(1S)-1-{3-[4-chloro-3-(methanesulfonylazanidyl)-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl]-6-(3-methanesulfonyl-3-methylbut-1-yn-1-yl)pyridin-2-yl}-2-(3,5-difluorophenyl)ethyl]-2-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.0^{2,4}]nona-1(6),8-dien-7-yl]acetamide
- SMILES
- [Na+].[H][C@]12C[C@@]1([H])C(F)(F)C1=C2C(=NN1CC(=O)N[C@@H](CC1=CC(F)=CC(F)=C1)C1=NC(=CC=C1C1=CC=C(Cl)C2=C1N(CC(F)(F)F)N=C2[N-]S(C)(=O)=O)C#CC(C)(C)S(C)(=O)=O)C(F)(F)F
- External Links
- ChEMBL
- CHEMBL4802249
- Wikipedia
- Lenacapavir
- Predicted Properties
Property Value Source logP 6.4 Chemaxon pKa (Strongest Acidic) 6.69 Chemaxon pKa (Strongest Basic) 2.07 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 9 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 155.14 Å2 Chemaxon Rotatable Bond Count 14 Chemaxon Refractivity 230.47 m3·mol-1 Chemaxon Polarizability 83.35 Å3 Chemaxon Number of Rings 7 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon