Cabotegravir O-β-D-Glucuronide

CAS: 2170827-75-3, 2639600-58-9

Ref. TR-C050105

Product Information

• Name: Cabotegravir O-β-D-Glucuronide
• Synonyms: (2S,3S,4S,5R,6S)-6-(((3S,11aR)-8-((2,4-difluorobenzyl)carbamoyl)-3-methyl-5,7-dioxo-2,3,5,7,11,11a-hexahydrooxazolo[3,2-a]pyrido[1,2-d]pyrazin-6-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
• Brand: TRC
• Description: Applications Cabotegravir O-β-D-Glucuronide is a metabolite of Cabotegravir (C050100), a long acting HIV-1 integrase inhibitor with action against a broad range of HIV subtypes.References Yoshinaga, T. et al.: Antimicrob, Agents Chemother., 59, 397 (2015); Andrews, C. et al.: Sci. Transl. Med., 7, 270 (2015)

Chemical properties

• Molecular weight: 581.48
• Formula: C₂₅H₂₅F₂N₃O₁₁
• Purity: >80%
• Color/Form: Neat
• InChI: InChI=1S/C25H25F2N3O11/c1-9-8-39-14-7-29-6-12(22(35)28-5-10-2-3-11(26)4-13(10)27)16(31)20(15(29)23(36)30(9)14)40-25-19(34)17(32)18(33)21(41-25)24(37)38/h2-4,6,9,14,17-19,21,25,32-34H,5,7-8H2,1H3,(H,28,35)(H,37,38)/t9?,14-,17+,18+,19-,21?,25-/m1/s1
• InChI key: InChIKey=RTKNQPQJTXGJQO-HFWIEEFCSA-N
• SMILES: C[C@H]1CO[C@@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)C(O)C4O)c3C(=O)N12