4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-one-d4

CAS: 764667-65-4

Ref. TR-O864952

Product Information

• Name: 4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-one-d4
• Synonyms: 1-(3-Trifluoromethyl-5,6-dihydro-8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-(2,4,5-trifluoro-phenyl)-butan-1,3-dione, 4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-one, 7-[1,3-Dioxo-4-(2,4,5-trifluorophenyl)butyl]-3-trifluoromethyl-5,6,7,8-tetrahydro-1,2,4-triazolo[4,3-a]pyrazine, Prositagliptin ketone
• Brand: TRC
• Description: Applications Isotope labelled Sitagliptin (S491000) intermediate. A dipeptidyl peptidase-4 inhibitor and an anti-hypertensive agent for the treatment of diabetes and hypertension.References Kim, D., et al.: J. Med. Chem. 48, 141 (2005), Ahren, B., et al.: Eur. J. Pharmacol. 521 164 (2005), Bergman, A., et al: Clin. Ther. 28, 55 (2006)

Chemical properties

• Molecular weight: 410.31
• Formula: C₁₆H₈D₄F₆N₄O₂
• Color/Form: Neat
• InChI: InChI=1S/C16H12F6N4O2/c17-10-6-12(19)11(18)4-8(10)3-9(27)5-14(28)25-1-2-26-13(7-25)23-24-15(26)16(20,21)22/h4,6H,1-3,5,7H2/i1D2,2D2
• InChI key: InChIKey=QAEDTLFWHIEVPK-LNLMKGTHSA-N
• SMILES: [2H]C1([2H])N(C(=O)CC(=O)Cc2cc(F)c(F)cc2F)Cc2nnc(C(F)(F)F)n2C1([2H])[2H]