3-Amino-4-(2,4,5-trifluorophenyl)butanyl Sitagliptin

CAS: 2072867-07-1

Ref. TR-A633385

Product Information

• Name: 3-Amino-4-(2,4,5-trifluorophenyl)butanyl Sitagliptin
• Synonyms: Benzenebutanamide, β-amino-N-[(1R)-3-[5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-3-oxo-1-[(2,4,5-trifluorophenyl)methyl]propyl]-2,4,5-trifluoro-, (βR)-, (3R)-3-Amino-N-[(2R)-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-yl]-4-(2,4,5-trifluorophenyl)butanamide
• Brand: TRC
• Description: Applications 3-Amino-4-(2,4,5-trifluorophenyl)butanyl Sitagliptin is an impurity of Sitagliptin (S490990). Sitagliptin is a trizolopyrazine dipeptidyl peptidase IV inhibitor. It has recently been approved for the therapy of type II diabetes.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: 622.4854
• Formula: C₂₆H₂₃F₉N₆O₂
• Color/Form: Neat
• InChI: InChI=1S/C26H23F9N6O2/c27-16-9-20(31)18(29)5-12(16)3-14(36)7-23(42)37-15(4-13-6-19(30)21(32)10-17(13)28)8-24(43)40-1-2-41-22(11-40)38-39-25(41)26(33,34)35/h5-6,9-10,14-15H,1-4,7-8,11,36H2,(H,37,42)/t14-,15-/m1/s1
• InChI key: InChIKey=KEGYDGSEECVTIB-HUUCEWRRSA-N
• SMILES: N[C@@H](CC(=O)N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F)Cc1cc(F)c(F)cc1F