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Cabotegravir-[d5]

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Category HIV Integrase
CAS 2750534-77-9
Description Cabotegravir-[d5] is the labelled analogue of Cabotegravir. Cabotegravir is a long-acting HIV integrase inhibitor against a broad range of HIV subtypes, and inhibits the HIV-1 integrase catalyzed strand transfer reaction with an IC50 of 3.0 nM.
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Product Information

Synonyms (3S,11aR)-N-(2,4-Difluorobenzyl)-6-hydroxy-3-(methyl-d3)-5,7-dioxo-2,3,5,7,11,11a-hexahydrooxazolo[3,2-a]pyrido[1,2-d]pyrazine-2,2-d2-8-carboxamide; Cabotegravir-D5; Cabotegravir-d5; GSK744-d5; GSK1265744-d5
IUPAC Name (3R,6S)-5,5-dideuterio-N-[(2,4-difluorophenyl)methyl]-10-hydroxy-8,11-dioxo-6-(trideuteriomethyl)-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxamide
Molecular Weight 410.38
Molecular Formula C19H12D5F2N3O5
Canonical SMILES [2H]C1([C@@H](N2[C@H](O1)CN3C=C(C(=O)C(=C3C2=O)O)C(=O)NCC4=C(C=C(C=C4)F)F)C([2H])([2H])[2H])[2H]
InChI InChI=1S/C19H17F2N3O5/c1-9-8-29-14-7-23-6-12(16(25)17(26)15(23)19(28)24(9)14)18(27)22-5-10-2-3-11(20)4-13(10)21/h2-4,6,9,14,26H,5,7-8H2,1H3,(H,22,27)/t9-,14+/m0/s1/i1D3,8D2
InChIKey WCWSTNLSLKSJPK-PXRIRJDNSA-N
Purity >95%
Solubility DMSO: soluble,Methanol: soluble
Appearance Solid powder
Storage Store at 2-8 °C
Complexity 814
Exact Mass 410.14501071
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; HIV Integrase
XLogP3-AA 2.1

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