8-Bromo-3,9-dihydro-3-methyl-1H-purine-2,6-dione

CAS: 93703-24-3

Ref. TR-B683485

Product Information

• Name: 8-Bromo-3,9-dihydro-3-methyl-1H-purine-2,6-dione
• Synonyms: 3-Methyl-8-bromoxanthine, 8-Bromo-3-methyl-3,7-dihydropurine-2,6-dione, 8-Bromo-3-methylxanthine, Linagliptin 8-Bromo Impurity, 1H-Purine-2,6-dione,8-bromo-3,7-dihydro-3-methyl-, 8-bromo-3-methyl-1H-purine-2,6(3H,7H)-dione, 1H-Purine-2,6-dione,8-bromo-3,9-dihydro-3-methyl-, 8-Bromo-3-methyl-xanthine, 8-Bromo-3-methyl-3,7-dihydro-purine-2,6-dione
• CAS: 93703-24-3

Description

Applications 8-Bromo-3,9-dihydro-3-methyl-1H-purine-2,6-dione, is a substituted derivative of Xanthine (X499950), found in animal organs, yeast, potatoes, coffee beans, tea. It can also be used for the synthesis of Linagliptin (L465900), which is a novel potent and selective dipeptidyl peptidase-4 (DPP-4) inhibitor with potential use in the treatment of type 2 diabetes.
References Mueller, C. et. al: Handbook Exp. Pharmacol. 200,151(2011); Prabavathy, N. et al.: Int. J. Pharm. Bio. Sci., 2, 438 (2011); Deacon, C.F.: Diab. Obes. Metab., 13, 7 (2011); Mtthias E., et. al: J. Med. Chem., 50, 6450 (2007);

• Brand: TRC

Chemical properties

• Molecular weight: 245.03
• Formula: C₆H₅BrN₄O₂
• Color/Form: Pale Yellow Solid
• InChI: InChI=1S/C6H5BrN4O2/c1-11-3-2(8-5(7)9-3)4(12)10-6(11)13/h1H3,(H,8,9)(H,10,12,13)
• InChI key: InChIKey=QTEQVEJOXGBDGI-UHFFFAOYSA-N
• SMILES: Cn1c(=O)[nH]c(=O)c2[nH]c(Br)nc21