Denagliptin

Base Information

• Chemical Name: Denagliptin
• CAS No.: 483369-58-0
• Molecular Formula: C20H18F3N3O
• Molecular Weight: 373.378
• UNII: DOS9ZOT21L
• DSSTox Substance ID: DTXSID30197492
• Nikkaji Number: J2.644.706B
• NCI Thesaurus Code: C76909
• Metabolomics Workbench ID: 144395
• ChEMBL ID: CHEMBL2110666
• Mol file: 483369-58-0.mol

Synonyms:4-fluoro-1-(4-fluoro-(4-fluorophenyl)phenylalanyl)-2-pyrrolidinecarbonitrile;denagliptin

Chemical Property of Denagliptin

Chemical Property:

• Boiling Point: 569.7±50.0 °C(Predicted)
• PKA: 7.04±0.37(Predicted)
• PSA: 70.12000
• Density: 1.33±0.1 g/cm3(Predicted)
• LogP: 3.52478
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 373.14019669
• Heavy Atom Count: 27
• Complexity: 542

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(CN(C1C#N)C(=O)C(C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)N)F
• Isomeric SMILES: C1[C@@H](CN([C@@H]1C#N)C(=O)[C@H](C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)N)F
• Recent ClinicalTrials: Study Of GW823093 In Japanese Subjects With Type 2 Diabetes Mellitus
• Recent EU Clinical Trials: “A Multi-Center, Double-Blind, Parallel-Group, Randomized, Placebo-Controlled Study to Evaluate the Efficacy, Safety, and Tolerability of Denagliptin in Subjects With Type 2 Diabetes Mellitus”
• Uses: Treatment of Type 2 diabetes.