Dabigatran

Dabigatran (BIBR 953), an oral anticoagulant, is a reversible, potent, competitive direct thrombin inhibitor (Ki=4.5 nM) . Dabigatran (BIBR 953) also inhibits thrombin-induced platelet aggregation (IC50=10 nM) [1][2].

Product Specifications

CAS Number

[211914-51-1]

Product Name Alternative

BIBR 953; BIBR 953ZW

UNSPSC

12352005

Hazard Statement

H302, H315, H319, H335

Target

Thrombin

Type

Reference compound

Related Pathways

Metabolic Enzyme/Protease

Applications

COVID-19-immunoregulation

Field of Research

Cardiovascular Disease; Cancer

Assay Protocol

https://www.medchemexpress.com/Dabigatran.html

Purity

98.06

Solubility

0.1 M HCl : 12.5 mg/mL (ultrasonic) |DMSO : < 1 mg/mL|H2O : < 0.1 mg/mL

Smiles

N=C(N)C(C=C1)=CC=C1NCC2=NC3=CC(C(N(CCC(O)=O)C4=NC=CC=C4)=O)=CC=C3N2C

Molecular Formula

C25H25N7O3

Molecular Weight

471.51

Precautions

H302, H315, H319, H335

References & Citations

[1]Wienen W, Stassen JM, Priepke H, In-vitro profile and ex-vivo anticoagulant activity of the direct thrombin inhibitor dabigatran and its orally activeprodrug, dabigatran etexilate. Thromb Haemost. 2007 Jul;98 (1) :155-62.|[2]Hauel NH, et al. Structure-based design of novel potent nonpeptide thrombin inhibitors. J Med Chem. 2002 Apr 25;45 (9) :1757-66.|[3]Wienen W, et al. Effects of the direct thrombin inhibitor dabigatran and its orally active prodrug, dabigatran etexilate, on thrombus formation and bleeding time in rats. Thromb Haemost. 2007 Aug;98 (2) :333-8.