Dabigatran ethyl ester hydrochloride

SKU: orb1218452

Description

Dabigatran ethyl ester hydrochloride is an effective inhibitor of ribosyl dihydronicotinic acid amide dehydrogenase (NQO2) with an IC50 value of 0.8 μM and is a thrombin inhibitor.

Images & Validation

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Key Properties

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CAS Number	211914-50-0
MW	536.03
Purity	>98% (HPLC)
Formula	C₂₇H₃₀ClN₇O₃
SMILES	CCOC(=O)CCN(C1=CC=CC=N1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CNC4=CC=C(C=C4)C(=N)N)C.Cl
Target	Thrombin
Solubility	DMSO:50 mg/mL (93.28 mM);H2O:5 mg/mL (9.33 mM; Need ultrasonic)

Bioactivity

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In Vivo

Dabigatran (Ki = 4.5 nM) could bind to human thrombin selectively, and reversibly to realize a strong and long-lasting anticoagulant effect.

In Vitro

The Ki of dabigatran (ethyl ester hydrochloride) toward NQO2 is 0.9 μM and the IC50 is 0.8 μM. The ethyl ester group of dabigatran (ethyl ester hydrochloride) significantly extends the interaction surface especially with hydrophobic amino acids such as Ile 128 and Met 154. Dabigatran ethyl ester has higher affinity than Dabigatran to both thrombin and NQO2. Dabigatran is a highly selective, reversible, and potent thrombin inhibitor and is orally available as the prodrug, dabigatran etexilate.

Storage & Handling

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Storage	Storage temperature: -20°C. Stability: ≥ 2 years
Expiration Date	12 months from date of receipt.
Disclaimer	For research use only

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Gene Symbol

Thrombin

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