Dolutegravir-d5

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) [1][2].

Product Specifications

CAS Number

[2249814-82-0]

Product Name Alternative

S/GSK1349572-d5

UNSPSC

12352005

Target

HIV; HIV Integrase; Isotope-Labeled Compounds

Type

Isotope-Labeled Compounds

Related Pathways

Anti-infection; Metabolic Enzyme/Protease; Others

Applications

COVID-19-anti-virus

Field of Research

Infection

Solubility

10 mM in DMSO

Smiles

FC1=C([2H])C(F)=C(C([2H])=C1[2H])C([2H])([2H])NC(C2=CN(C3=C(C2=O)O)C[C@@]([H])(N4C3=O)OCC[C@H]4C)=O

Molecular Formula

C20H14D5F2N3O5

Molecular Weight

424.41

References & Citations

[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216.|[2]Hare S, et al. Structural and functional analyses of the second-generation integrase strand transfer inhibitor dolutegravir (S/GSK1349572) . Mol Pharmacol. 2011 Oct;80 (4) :565-72.|[3]Kobayashi M, et al. In Vitro antiretroviral properties of S/GSK1349572, a next-generation HIV integrase inhibitor. Antimicrob Agents Chemother. 2011 Feb;55 (2) :813-21.|[4]Moss L, et al. The comparative disposition and metabolism of dolutegravir, a potent HIV-1 integrase inhibitor, in mice, rats, and monkeys. Xenobiotica. 2015 Jan;45 (1) :60-70.