Name: Lenacapavir
Rating: 5 (10 reviews)

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HIT ID:HIT212671307
Cas No:2189684-44-2
常用名:Lenacapavir
别名:GS-6207
IUPAC: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-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.0^{2,4}]nona-1(6),8-dien-7-yl]acetamide
IUPAC: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-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.0^{2,4}]nona-1(6),8-dien-7-yl]acetamide
InChI key:BRYXUCLEHAUSDY-WEWMWRJBSA-N

分子式:C39H32ClF10N7O5S2
分子量:968.28
氢键供体数 (HBD):2
氢键受体数 (HBA):8
LogP:6.3998585
SMILES:[H][C@]12C[C@@]1([H])C(F)(F)c1c2c(nn1CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1nc(ccc1-c1ccc(Cl)c2c(NS(C)(=O)=O)nn(CC(F)(F)F)c12)C#CC(C)(C)S(C)(=O)=O)C(F)(F)F
SMILES:[H][C@]12C[C@@]1([H])C(F)(F)c1c2c(nn1CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1nc(ccc1-c1ccc(Cl)c2c(NS(C)(=O)=O)nn(CC(F)(F)F)c12)C#CC(C)(C)S(C)(=O)=O)C(F)(F)F

Lenacapavir （ GS-6207）是美国食品药品监督管理局、欧洲药品管理局和加拿大卫生部批准用于治疗 MDR HIV-1 感染的首创 HIV-1 衣壳抑制剂。[3]

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