Dolutegravir-d5

Dolutegravir-d5 is intended for use as an internal standard for the quantification of dolutegravir (Cay-22191) by GC- or LC-MS. 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-3,5,6-d3)methyl-d2)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide. Molecular Formula: C20H14D5F2N3O5. Formula Weight: 424.4. Purity: >99% deuterated forms (d1-d5). Formulation: (Request formulation change), A solid. Solubility: DMF: 5 mg/ml, DMSO: 2.5 mg/ml, Ethanol: Slightly Soluble. SMILES: FC1=C([2H])C(F)=C([2H])C([2H])=C1C([2H])([2H])NC(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/i2D,3D,6D,7D2. InChi Key: RHWKPHLQXYSBKR-DZYLKJILSA-N.