5-​[[[(2,​4-​Difluorophenyl)​methyl]​amino]​carbonyl]​-​1-​(2,​2-​dimethoxyethyl)​-​1,​4-​dihydro-​3-​methoxy-​4-​oxo-2-pyridinecarboxylic Acid Methyl Ester

CAS: 1616340-68-1

Ref. TR-D161635

Product Information

• Name: 5-​[[[(2,​4-​Difluorophenyl)​methyl]​amino]​carbonyl]​-​1-​(2,​2-​dimethoxyethyl)​-​1,​4-​dihydro-​3-​methoxy-​4-​oxo-2-pyridinecarboxylic Acid Methyl Ester
• Synonyms: 5-[[[(2,4-Difluorophenyl)methyl]amino]carbonyl]-1-(2,2-dimethoxyethyl)-1,4-dihydro-3-methoxy-4-oxo-2-pyridinecarboxylic Acid Methyl Ester, 5-[[[(2,4-Difluorophenyl)methyl]amino]carbonyl]-1-(2,2-dimethoxyethyl)-1,4-dihydro-3-methoxy-4-oxo-2-pyridinecarboxylic Acid Methyl Ester
• Brand: TRC
• Description: Applications 5-​[[[(2,​4-​Difluorophenyl)​methyl]​amino]​carbonyl]​-​1-​(2,​2-​dimethoxyethyl)​-​1,​4-​dihydro-​3-​methoxy-​4-​oxo-2-pyridinecarboxylic Acid Methyl Ester is an intermediate in the synthesis of Cabotegravir-d3 (C050102), which is the labelled form of Cabotegravir (C050100). Cabotegravir is 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: 440.395
• Formula: C₂₀H₂₂F₂N₂O₇
• Color/Form: Neat
• InChI: InChI=1S/C20H22F2N2O7/c1-28-15(29-2)10-24-9-13(17(25)18(30-3)16(24)20(27)31-4)19(26)23-8-11-5-6-12(21)7-14(11)22/h5-7,9,15H,8,10H2,1-4H3,(H,23,26)
• InChI key: InChIKey=XPBVFWUQOQKKLA-UHFFFAOYSA-N
• SMILES: COC(=O)c1c(OC)c(=O)c(C(=O)NCc2ccc(F)cc2F)cn1CC(OC)OC