Sitagliptin
(3R)-3-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
Molecular Identity
Sitagliptin
(3R)-3-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
PubChem CID: 4369359
Sitagliptin is a triazolopyrazine that exhibits hypoglycemic activity. It has a role as a hypoglycemic agent, a xenobiotic, a serine proteinase inhibitor, an EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor and an environmental contaminant. It is a triazolopyrazine and a trifluorobenzene.
2D Structure
Properties
C16H15F6N5O
Molecular Formula
407.31
Molecular Weight
g/mol
407.1181
Exact Mass
Da
0.7
XLogP
Drug-like (Lipinski: < 5)
77
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
10
H-Bond Acceptors
566
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Sitagliptin486460-32-6JanuviaZituviositagliptinasitagliptineLEZ763sitagliptinum(3R)-3-AMINO-1-[3-(TRIFLUOROMETHYL)-5H,6H,7H,8H-[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7-YL]-4-(2,4,5-TRIFLUOROPHENYL)BUTAN-1-ONEQFP0P1DV7Z(3R)-3-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-oneLEZ-763(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-AMINECHEBI:40237DTXSID70197572
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Sitagliptin
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