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Chemistry

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Also known as: Gs-hiv sodium, Bdt58wj9we, 2283356-12-5, Unii-bdt58wj9we, Gs-6207-02, Sunlenca
Molecular Formula
C39H31ClF10N7NaO5S2
Molecular Weight
990.3  g/mol
InChI Key
SSXPGMNGIORJAQ-PZNXWHLTSA-M
FDA UNII
BDT58WJ9WE

Lenacapavir Sodium
LENACAPAVIR SODIUM is a small molecule drug with a maximum clinical trial phase of IV (across all indications) that was first approved in 2022 and is indicated for hiv-1 infection and hiv infection.
1 2D Structure

Lenacapavir Sodium

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
sodium [4-chloro-7-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]ethyl]-6-(3-methyl-3-methylsulfonylbut-1-ynyl)-3-pyridinyl]-1-(2,2,2-trifluoroethyl)indazol-3-yl]-methylsulfonylazanide
2.1.2 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
2.1.3 InChI Key
SSXPGMNGIORJAQ-PZNXWHLTSA-M
2.2 Other Identifiers
2.2.1 UNII
BDT58WJ9WE
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Gs-hiv Sodium

2. Bdt58wj9we

3. 2283356-12-5

4. Unii-bdt58wj9we

5. Gs-6207-02

6. Sunlenca

7. 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,4,4a,5-tetrahydro-3-(trifluoromethyl)-, Sodium Salt (1:1), (3bs,4ar)-

8. 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-cyclopropa(3,4)cyclopenta(1,2-c)pyrazol-1-yl)acetamide, Sodium Salt (1:1)

9. Refchem:58517

10. Gs-hiv Na

11. Lenacapavir Sodium [usan]

12. Yeztugo

13. Sunlenca (tn)

14. Lenacapavir (sodium)

15. Lenacapavir Sodium [who-dd]

16. Orb2814823

17. Chembl4802249

18. Lenacapavir Sodium (jan/usan)

19. Schembl30612482

20. Schembl30685531

21. Ex-a5518a

22. Hy-111964a

23. D12162

2.4 Create Date
2020-08-13
3 Chemical and Physical Properties
Molecular Weight 990.3 g/mol
Molecular Formula C39H31ClF10N7NaO5S2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count19
Rotatable Bond Count13
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area164
Heavy Atom Count65
Formal Charge0
Complexity2050
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
4 Drug and Medication Information
4.1 Drug Indication

Sunlenca injection, in combination with other antiretroviral(s), is indicated for the treatment of adults with multidrug resistant HIV 1 infection for whom it is otherwise not possible to construct a suppressive anti viral regimen (see sections 4. 2 and 5. 1). Sunlenca tablet, in combination with other antiretroviral(s), is indicated for the treatment of adults with multidrug resistant HIV 1 infection for whom it is otherwise not possible to construct a suppressive anti viral regimen, for oral loading prior to administration of long-acting lenacapavir injection (see sections 4. 2 and 5. 1).



5 Pharmacology and Biochemistry
5.1 FDA Pharmacological Classification
5.1.1 Pharmacological Classes
Breast Cancer Resistance Protein Inhibitors [MoA]; HIV Capsid Inhibitors [MoA]; Cytochrome P450 3A Inhibitors [MoA]; P-Glycoprotein Inhibitors [MoA]; Human Immunodeficiency Virus 1 Capsid Inhibitor [EPC]
5.2 ATC Code

J05AX


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