(2R,5S,13aR)-2,3,4,5,7,9,13,13a-Octahydro-8-methoxy-7,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,5-methanopyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazepine-10-carboxamide-d2, 15N

CAS: 1616340-94-3

Ref. TR-M262872

Product Information

• Name: (2R,5S,13aR)-2,3,4,5,7,9,13,13a-Octahydro-8-methoxy-7,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,5-methanopyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazepine-10-carboxamide-d2, 15N
• Synonyms: (1S,11R,13R)-N-[dideuterio-(2,4,6-trifluorophenyl)methyl]-5-methoxy-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-(15N)carboxamide
• Brand: TRC
• Description: Applications (2R,5S,13aR)-2,3,4,5,7,9,13,13a-Octahydro-8-methoxy-7,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,5-methanopyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazepine-10-carboxamide-d2, 15N is an intermediate in the synthesis of Bictegravir-15N, d2 (B382096), which is the labeled version of Bictegravir, which is a novel, potent inhibitor of HIV-1 integrase with an IC50 of 7.5 nM.References Tsiang M. et al.: Antimicrob Agents Chemother. 2016 Nov 21;60(12):7086-7097

Chemical properties

• Molecular weight: 466.412
• Formula: C₂₂D₂H₁₈F₃₁₅NN₂O₅
• Color/Form: Neat
• InChI: InChI=1S/C22H20F3N3O5/c1-32-20-18-22(31)28-11-2-3-12(6-11)33-17(28)9-27(18)8-14(19(20)29)21(30)26-7-13-15(24)4-10(23)5-16(13)25/h4-5,8,11-12,17H,2-3,6-7,9H2,1H3,(H,26,30)/t11-,12+,17+/m0/s1/i7D2,26+1
• InChI key: InChIKey=GCAOXZIBYQSMMA-UHHAJJNYSA-N
• SMILES: [2H]C([2H])([15NH]C(=O)c1cn2c(c(OC)c1=O)C(=O)N1[C@H]3CC[C@H](C3)O[C@@H]1C2)c1c(F)cc(F)cc1F