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Lenacapavir

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Category Hepatitis C Virus (HCV)
CAS 2189684-44-2
Description Lenacapavir (GS-6207) is a HIV-1 capsid inhibitor. Lenacapavir shows anti-HIV activity with an EC50 of 100 pM in MT-4 cells
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Product Information

Synonyms Lenacapavir|2189684-44-2|GS-6207|GS-HIV|GS-CA1|GS-CA2|UNII-A9A0O6FB4H|A9A0O6FB4H|GS-CA-2|GS-714207|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|N-((S)-1-(3-(4-Chloro-3-(methylsulfonamido)-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl)-6-(3-methyl-3-(methylsulfonyl)but-1-yn-1-yl)pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl)-2-((3bS,4aR)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl)acetamide|N-[(1S)-1-(3-{4-chloro-3-[(methylsulfonyl)amino]-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl}-6-[3-methyl-3-(methylsulfonyl)but-1-yn-1-yl]pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[(3bS,4aR)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide|QNG|Lenacapavir [USAN]|CHEMBL4594438|SCHEMBL19875642|GTPL11446|EX-A5518|GS6207|WHO 11108|AT20076|HY-111964|CS-0094695|N-[(1S)-1-[3-[4-chloro-3-(methanesulfonamido)-1-(2,2,2-trifluoroethyl)indazol-7-yl]-6-(3-methyl-3-methylsulfonyl-but-1-ynyl)-2-pyridyl]-2-(3,5-difluorophenyl)ethyl]-2-[difluoro(trifluoromethyl)[?]yl]acetamide
Molecular Weight 968.28
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
Purity ≥98% (HPLC)
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 Powder:
-20°C: 3 years
4°C: 2 years
In solvent:
-80°C: 6 months
-20°C: 1 month
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

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