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Dolutegravir-d3

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Category HIV Integrase
Description Dolutegravir-d3 (S/GSK1349572-d3) is the 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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Product Information

Synonyms S/GSK1349572-d3
Molecular Weight 422.40
Molecular Formula C20H16D3F2N3O5
Canonical SMILES FC1=C([2H])C(F)=C(C=C1)C([2H])([2H])NC(C2=CN(C3=C(C2=O)O)C[C@@]([H])(N4C3=O)OCC[C@H]4C)=O
Boiling Point 664.9±55.0 °C(Predicted)
Purity 99.7% by HPLC
Density 1.53±0.1 g/cm3(Predicted)
Solubility In vitro:
10 mM in DMSO
Appearance Solid
Storage 2-8°C Refrigerator
Complexity 829
Exact Mass 422.14810728
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

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