Dabigatran Carboxamide

• CAT Number: C000769
• CAS Number: 2417628-79-4
• Molecular Formula: C₂₅H₂₄N₆O₄
• Molecular Weight: 472.5
• Purity: ≥95%
• Synonyms: 3-(2-(((4-Carbamoylphenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoic Acid; Dabigatran Etexilate Mesylate Impurity D
• Solubility: DMSO (Slightly), Methanol (Slightly)
• Appearance: White to Off-White Solid
• Storage: 4°C
• IUPAC Name: 3-[[2-[(4-carbamoylanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoic acid
• InChI: InChI=1S/C25H24N6O4/c1-30-20-10-7-17(25(35)31(13-11-23(32)33)21-4-2-3-12-27-21)14-19(20)29-22(30)15-28-18-8-5-16(6-9-18)24(26)34/h2-10,12,14,28H,11,13,15H2,1H3,(H2,26,34)(H,32,33)
• InChIKey: KOTNORPKACUHIN-UHFFFAOYSA-N
• SMILES: CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)O)C3=CC=CC=N3)N=C1CNC4=CC=C(C=C4)C(=O)N

Dabigatran carboxamide (Cat No.:C000769) is a chemical compound related to dabigatran, an anticoagulant medication used to prevent blood clot formation. This carboxamide derivative likely holds significance in medicinal chemistry and pharmaceutical research. Its structural modification may impact its interactions with coagulation factors and its potential antithrombotic effects. Researchers may explore its binding affinity to thrombin, its mechanism of action, and potential therapeutic applications.

Reference

Hauel, N., et al.: J. Med. Chem., 45, 1757 (2002); Mungall, D., et al.: Curr. Opin. Invest. Drugs, 3, 095 (2002); Stangier, J., et al.: J. Clin. Pharmacol., 45, 555 (2005)