N-Boc-Sitagliptin

CAS: 486460-23-5

Ref. TR-B667500

Product Information

• Name: N-Boc-Sitagliptin
• Synonyms: Carbamic acid, 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]-, 1,1-dimethylethyl ester, Carbamic acid, [(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]-, 1,1-dimethylethyl ester (9CI), tert-Butyl N-[(3R)-1-Oxo-1-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)butan-3-yl]carbamate, tert-Butyl 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]carbamate
• Brand: TRC
• Description: Applications N-Boc-Sitagliptin is the N-Boc protected derivative of Sitagliptin (S490990), a dipeptidyl peptidase-4 inhibitor that is used for glycemic control for patients with type 2 diabetes.References Aschner, P., et al.: Diabetes Care, 29, 2632 (2006); Charbonnel, B., et al.: Diabetes Care, 29, 2638 (2006)

Chemical properties

• Molecular weight: 507.43
• Formula: C₂₁H₂₃F₆N₅O₃
• Color/Form: Neat
• InChI: InChI=1S/C21H23F6N5O3/c1-20(2,3)35-19(34)28-12(6-11-7-14(23)15(24)9-13(11)22)8-17(33)31-4-5-32-16(10-31)29-30-18(32)21(25,26)27/h7,9,12H,4-6,8,10H2,1-3H3,(H,28,34)/t12-/m1/s1
• InChI key: InChIKey=RHCVXZBZEKGRQP-GFCCVEGCSA-N
• SMILES: CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F