Dolutegravir-d3

• CAT Number: I045377
• Molecular Formula: C20H16D3F2N3O5
• Molecular Weight: 422.40
• Purity: ≥95%
• Synonyms: (3S,7R)-N-[dideuterio-(3-deuterio-2,4-difluorophenyl)methyl]-11-hydroxy-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
• InChI: 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/i6D,7D2
• InChIKey: RHWKPHLQXYSBKR-TVZIWZTKSA-N
• SMILES: CC1CCOC2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)O

Dolutegravir-d3 (Cat No.: I045377) is a deuterated form of dolutegravir, an integrase strand transfer inhibitor (INSTI) used in the treatment of HIV-1 infection. In dolutegravir-d3, three hydrogen atoms are replaced with deuterium, which may enhance metabolic stability and pharmacokinetics without altering the drug’s antiviral activity. Like dolutegravir, it inhibits the HIV integrase enzyme, preventing viral DNA from integrating into the host genome. Dolutegravir-d3 is primarily used in research settings, including pharmacokinetic studies and bioanalytical assays, to support antiretroviral drug development and monitoring.

Reference

[1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53(2):211-216.
[Content Brief]

[2]. 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.
[Content Brief]

[3]. 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.
[Content Brief]

[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.
[Content Brief]