486460-31-5

Basic information

• Product Name: Sitagliptin Defuoro IMpurity 5
• Synonyms: Sitagliptin Defuoro IMpurity 5;Sitagliptin Defuoro IMpurity 1
• CAS NO: 486460-31-5
• Molecular Formula: C16H16F5N5O
• Molecular Weight: 389.323156
• Mol File: 486460-31-5.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 530.3±60.0 °C(Predicted)
• Appearance: /
• Density: 1.56±0.1 g/cm3(Predicted)
• PKA: 7.60±0.10(Predicted)
• CAS DataBase Reference: Sitagliptin Defuoro IMpurity 5(CAS DataBase Reference)
• NIST Chemistry Reference: Sitagliptin Defuoro IMpurity 5(486460-31-5)
• EPA Substance Registry System: Sitagliptin Defuoro IMpurity 5(486460-31-5)

Safety Data

• Hazardous Substances Data: 486460-31-5(Hazardous Substances Data)

Upstream product

• 486460-22-4 7-[(3R)-3-[(1,1-dimethylethoxycarbonyl)amino]-4-(2,5-difluorophenyl)butanoyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,2,4-triazolo[4,3-a]pyrazine 
• 486460-21-3 3-trifluoromethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine 
• 486459-98-7 (3R)-3-[(1,1-dimethylethoxycarbonyl)amino]-4-(2,5-difluorophenyl)butanoic acid 
• 85117-99-3 2-(bromomethyl)-1,4-difluorobenzene 
• 261380-31-8 (R)-N-(1,1-dimethylethoxycarbonyl)-2,5-difluorophenylalanine 
• 837430-12-3 (R)-3-[(1,1-dimethylethoxycarbonyl)amino]-1-diazo-4-(2,5-difluorophenyl)butan-2-one 
• 486460-20-2 3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine 
• 837430-11-2 (R)-N-(1,1-dimethylethoxycarbonyl)-2,5-difluorophenylalanine methyl ester 
• 837430-10-1 (2R,5S)-2,5-dihydro-3,6-dimethoxy-2-[(2',5'-difluorophenyl)methyl]-5-isopropylpyrazine 
• 837430-13-4 (3R)-3-[(1,1-dimethylethoxycarbonyl)amino]-4-(2,5-difluorophenyl)butanoic acid methyl ester 

Relevant articles and documents

(3R)-4-[(3R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(2,2,2-trifluoroethyl)-1,4-diazepan-2-one, a selective dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes

Replacement of the triazolopiperazine ring of sitagliptin (DPP-4 IC50 = 18 nM) with 3-(2,2,2-trifluoroethyl)-1,4-diazepan-2-one gave dipeptidyl peptidase IV (DPP-4) inhibitor 1 which is potent (DPP-4 IC50 = 2.6 nM), selective, and ef