Dolutegravir

Dolutegravir is a potent inhibitor of HIV integrase with an IC50 value of 2.7 nM for HIV-1 integrase-catalyzed strand transfer in vitro. It inhibits HIV-1 viral replication (EC50 = 0.51 nM) in peripheral blood mononuclear cells (PBMCs). The cytotoxic concentration (CC50) values for dolutegravir in unstimulated and stimulated PBMCs are 189 and 52 µM, respectively, resulting in a therapeutic index of at least 9,400. It prevents replication of several HIV-1 strains (EC50s = 0.36-2.1 nM) that are resistant to nucleoside reverse transcriptase inhibitors (NRTIs), non-nucleoside reverse transcriptase inhibitors (NNRTIs), and protease inhibitors and impairs their ability to infect CIP4 cells. Formulations containing dolutegravir have been used to treat HIV-1 infection in humans.Formal Name: (4R,12aS)-N-[(2,4-difluorophenyl)methyl]-3,4,6,8,12,12a-hexahydro-7-hydroxy-4-methyl-6,8-dioxo-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide. CAS Number: 1051375-16-6. Synonyms: GSK1349572, S/GSK1349572. Molecular Formula: C20H19F2N3O5. Formula Weight: 419.4. Purity: >98%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMF: 5 mg/ml, DMF:PBS (pH 7.2) (1:4): 0.20 mg/ml, DMSO: 2.5 mg/ml, Ethanol: slightly soluble. lambdamax: 259 nm. SMILES: FC1=CC(F)=CC=C1CNC(C2=CN(C[C@@](OCC[C@H]3C)([H])N3C4=O)C4=C(O)C2=O)=O. InChi Code: InChI=1S/C20H19F2N3O5/c1-10-4-5-30-15-9-24-8-13(17(26)18(27)16(24)20(29)25(10)15)19(28)23-7-11-2-3-12(21)6-14(11)22/h2-3,6,8,10,15,27H,4-5,7,9H2,1H3,(H,23,28)/t10-,15+/m1/s1. InChi Key: RHWKPHLQXYSBKR-BMIGLBTASA-N.