Linagliptin
8-[(3R)-3-aminopiperidin-1-yl]-7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]purine-2,6-dione
Molecular Identity
Linagliptin
8-[(3R)-3-aminopiperidin-1-yl]-7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]purine-2,6-dione
PubChem CID: 10096344
Linagliptin is a xanthine that is 7H-xanthine bearing (4-methylquinazolin-2-yl)methyl, methyl, but-2-yn-1-yl and 3-aminopiperidin-1-yl substituents at positions 1, 3, 7 and 8 respectively (the R-enantiomer). Used for treatment of type II diabetes. It has a role as a hypoglycemic agent and an EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor. It is a member of quinazolines and an aminopiperidine. It is functionally related to a 7H-xanthine.
2D Structure
Properties
C25H28N8O2
Molecular Formula
472.50
Molecular Weight
g/mol
472.2335
Exact Mass
Da
1.9
XLogP
Drug-like (Lipinski: < 5)
113
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
7
H-Bond Acceptors
885
Complexity
SMILES
Canonical SMILES
SMILES: CC#CCN1C2=C(N=C1N3CCCC(C3)N)N(C(=O)N(C2=O)CC4=NC5=CC=CC=C5C(=N4)C)CIsomeric SMILES
SMILES: CC#CCN1C2=C(N=C1N3CCC[C@H](C3)N)N(C(=O)N(C2=O)CC4=NC5=CC=CC=C5C(=N4)C)CSynonyms(20)
Linagliptin668270-12-0TradjentaBI-1356BI 1356TrazentaTrajentaBI-1356-BSlinagliptineLinagliptinaBS 1356 BSBI13563X29ZEJ4R2(R)-8-(3-Amino-piperidin-1-yl)-7-but-2-ynyl-3-methyl-1-(4-methyl-quinazolin-2-ylmethyl)-3,7-dihydro-purine-2,6-dioneBI-1356BS
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Linagliptin
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