2097784-79-5
Chemical Structure
GSK3532795 oxalate
Synonym(s): BMS-955176 oxalate
- CAS No.: 2097784-79-5
- Formula:C44H64N2O8S
- Molecular Weight:781.05
IUPAC Name: 4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-((2-(1,1-dioxidothiomorpholino)ethyl)amino)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-2,3,3a,4,5,5a,5b,6,7,7a,8,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-9-yl)benzoic acid compound wit
InChIKey: AHKYPTUPOOYXNE-BRHUKUJJSA-N
SMILES: OC(C(O)=O)=O.O=S(CCN1CCN[C@]23[C@@]([C@@H](CC3)C(C)=C)([H])[C@]4([H])[C@@](CC2)([C@]5([C@]([C@@]6([C@@](C(C)(C(C7=CC=C(C=C7)C(O)=O)=CC6)C)([H])CC5)C)([H])CC4)C)C)(CC1)=O
Biological Activity: GSK3532795 oxalate is a potent, orally active, second-generation HIV-1 maturation inhibitor, with EC50s of 1.9, 10.2, 2.7 and 13 nM for HIV-1 WT, HIV-1 WT(human serum), HIV-1 V370A, and HIV-1 ΔV370, respectively[1].
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GSK3532795 oxalate | GSK3532795 oxalate is a potent, orally active, second-generation HIV-1 maturation inhibitor, with EC50s of 1.9, 10.2, 2.7 and 13 nM for HIV-1 WT, HIV-1 WT(human serum), HIV-1 V370A, and HIV-1 ΔV370, respectively. | |||||||||||||||||||||
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References
- [1]. Regueiro-Ren A, et al. Design, Synthesis, and SAR of C-3 Benzoic Acid, C-17 Triterpenoid Derivatives. Identification of the HIV-1 Maturation Inhibitor 4-((1 R,3a S,5a R,5b R,7a R,11a S,11b R,13a R,13b R)-3a-((2-(1,1-Dioxidothiomorpholino)ethyl)amino)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-2,3,3a,4,5,5a,5b,6,7,7a,8,11,11a,11b,12,13,13a,13b-octadecahydro-1 H-cyclopenta[ a]chrysen-9-yl)benzoic Acid (GSK3532795, BMS-955176). J Med Chem. 2018 Aug 23;61(16):7289-7313. [Content Brief]
