Linagliptin Related Compound A

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For Research Use Only.

Category

Impurities

Cat.No.

NP2672

CAS

666816-98-4

Product Name

Linagliptin Related Compound A

Structure

Product Details

Description

An impurity of Linagliptin, a novel potent and selective dipeptidyl peptidase-4 (DPP-4) inhibitor with potential use in the treatment of type 2 diabetes.

Synonyms

8-Bromo-7-(but-2-yn-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione; 8-Bromo-7-(2-butyn-1-yl)-3-methylxanthine

IUPAC Name

8-bromo-7-but-2-ynyl-3-methylpurine-2,6-dione

Molecular Weight

297.11

Molecular Formula

C10H9BrN4O2

Canonical SMILES

CC#CCN1C2=C(N=C1Br)N(C(=O)NC2=O)C

InChI

InChI=1S/C10H9BrN4O2/c1-3-4-5-15-6-7(12-9(15)11)14(2)10(17)13-8(6)16/h5H2,1-2H3,(H,13,16,17)

InChIKey

HFZOBQSHTNNKFY-UHFFFAOYSA-N

Melting Point

285 °C

Purity

98.0%

Density

1.71 g/cm3

Solubility

Soluble in DMSO (Slightly), Methanol (Slightly)

Form

Powder

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