N-Des-(2-butyn-1-yl)-N-(3-bromo-2-buten-1-yl) Linagliptin (E/Z Mixture)

CAS:
1446263-39-3
1638744-06-5

Ref. TR-D282015

Salts and Derivatives of Active Pharmaceutical Ingredients (API)

Product Information

Name:N-Des-(2-butyn-1-yl)-N-(3-bromo-2-buten-1-yl) Linagliptin (E/Z Mixture)

Synonyms:

8-[(3R)-3-Amino-1-piperidinyl]-7-[(2E/Z)-3-bromo-2-buten-1-yl]-3,7-dihydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-1H-purine-2,6-dione
Linagliptin Impurity S

Brand:TRC

Description:

Applications N-Des-(2-butyn-1-yl)-N-(3-bromo-2-buten-1-yl) Linagliptin 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)

Notice:Our products are intended for lab use only. For any other use, please contact us.

Chemical properties

Molecular weight:553.45

Formula:C₂₅H₂₉BrN₈O₂

Color/Form:Neat

InChI:InChI=1S/C25H29BrN8O2/c1-15(26)10-12-33-21-22(30-24(33)32-11-6-7-17(27)13-32)31(3)25(36)34(23(21)35)14-20-28-16(2)18-8-4-5-9-19(18)29-20/h4-5,8-10,17H,6-7,11-14,27H2,1-3H3/b15-10+/t17-/m1/s1

InChI key:InChIKey=KOVUTSTYXMWMHQ-IUYQLWOBSA-N

SMILES:C/C(Br)=C\Cn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C

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