Dolutegravir-d5

Category	HIV Integrase
CAS	2249814-82-0
Description	Dolutegravir-d5 is deuterium labeled Dolutegravir. Dolutegravir (S/GSK1349572) is a highly potent and orally bioavailable HIV integrase strand transfer inhibitor with an IC50 of 2.7 nM for HIV-1 integrase-catalyzed strand transfer. Dolutegravir (S/GSK1349572) inhibits HIV-1 viral replication with an IC50 of 0.51 nM in peripheral blood mononuclear cells. Dolutegravir retains a high potency against the HIV-1 Y143R, N155H, and G140S/Q148H mutants (EC50=3.6-5.8 nM).

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Synonyms	Dolutegravir-d5\|HY-13238S2\|CS-0377193\|(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 Weight	424.41
Molecular Formula	C20H19F2N3O5
Canonical SMILES	CC1CCOC2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)O
Purity	≥99%
Solubility	DMF: 5 mg/ml, DMSO: 2.5 mg/ml, Ethanol: Slightly Soluble
Appearance	Solid powder
Storage	Store at -20°C
Complexity	829
Exact Mass	424.16066077
In Vitro	Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and Metabolic profiles of drugs.
Target	HIV Integrase; HIV
XLogP3-AA	2.4