7-(2-Butyn-1-yl)-3,7-dihydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-8-[(3S)-3-piperidinylamino]-1H-purine-2,6-dione

CAS: 2253964-85-9

Ref. TR-B740035

Product Information

• Name: 7-(2-Butyn-1-yl)-3,7-dihydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-8-[(3S)-3-piperidinylamino]-1H-purine-2,6-dione
• Synonyms: 1H-Purine-2,6-dione, 7-(2-butyn-1-yl)-3,7-dihydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-8-[(3S)-3-piperidinylamino]- (ACI), 7-(2-Butyn-1-yl)-3,7-dihydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-8-[(3S)-3-piperidinylamino]-1H-purine-2,6-dione (ACI)
• Brand: TRC

Description

Applications 7-(2-Butyn-1-yl)-3,7-dihydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-8-[(3S)-3-piperidinylamino]-1H-purine-2,6-dione is an impurity of Linagliptin (L465900), a novel potent and selective dipeptidyl peptidase-4 (DPP-4) inhibitor with potential use in the treatment of type 2 diabetes.
References Prabavathy, N. et al.: Int. J. Pharm. Bio. Sci., 2, 438 (2011); Deacon, C.F.: Diab. Obes. Metab., 13, 7 (2011)

Chemical properties

• Molecular weight: 472.54
• Formula: C₂₅H₂₈N₈O₂
• Color/Form: Neat
• InChI: InChI=1S/C25H28N8O2/c1-4-5-13-32-21-22(30-24(32)28-17-9-8-12-26-14-17)31(3)25(35)33(23(21)34)15-20-27-16(2)18-10-6-7-11-19(18)29-20/h6-7,10-11,17,26H,8-9,12-15H2,1-3H3,(H,28,30)/t17-/m0/s1
• SMILES: CC#CCn1c(N[C@H]2CCCNC2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C