Dabigatran (ethyl ester hydrochloride)

Dabigatran ethyl ester hydrochloride is a potent inhibitor of ribosyldihydronicotinamide dehydrogenase (NQO2) with an IC50 value of 0.8 μM and a thrombin inhibitor.

Product Specifications

CAS Number

[211914-50-0]

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

Assay Protocol

https://www.medchemexpress.com/Dabigatran-ethyl-ester-hydrochloride.html

Concentration

10mM

Purity

99.84

Solubility

DMSO : ≥ 50 mg/mL|H2O : 5 mg/mL (ultrasonic)

Smiles

NC(C1=CC=C(NCC2=NC3=CC(C(N(CCC(OCC)=O)C4=CC=CC=N4)=O)=CC=C3N2C)C=C1)=N.[H]Cl

Molecular Formula

C27H30ClN7O3

Molecular Weight

536.03

Precautions

H302, H315, H319, H335

References & Citations

[1]Michaelis S, et al. Dabigatran and dabigatran ethyl ester: potent inhibitors of ribosyldihydronicotinamide dehydrogenase (NQO2) . J Med Chem. 2012 Apr 26;55 (8) :3934-44.|[2]Eisert WG, et al. Dabigatran: an oral novel potent reversible nonpeptide inhibitor of thrombin. Arterioscler Thromb Vasc Biol. 2010 Oct;30 (10) :1885-9.|[3]Hauel NH, et al. Structure-based design of novel potent nonpeptide thrombin inhibitors. J Med Chem. 2002 Apr 25;45 (9) :1757-66.