Dabigatran ethyl ester hydrochloride

SKU: orb1309791

Description

Dabigatran ethyl ester hydrochloride is a dual-activity small molecule, functioning as a potent thrombin inhibitor and an effective NQO2 inhibitor with an IC50 of 0.8 µM. This compound is a valuable research tool for studying coagulation pathways and quinone oxidoreductase biology in biochemical and cellular assays.

Research Area

Protein Biochemistry

Images & Validation

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Key Properties

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CAS Number	211914-50-0
MW	536.03
Purity	98.70% (May vary between batches)
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);10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (3.73 mM);H2O:5 mg/mL (9.33 mM)

Bioactivity

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Target IC50	NQO2:0.8 μM
In Vivo	Dabigatran (Ki = 4.5 nM) can selectively bind to human thrombin and reversibly achieve a strong and lasting anticoagulant effect.
In Vitro	Dabigatran (ethyl ester hydrochloride) has a Ki of 0.9 μM for NQO2 and an IC50 of 0.8 μM. The ethyl group (ethyl ester hydrochloride) of dabigatran significantly extends the interaction surface, especially with hydrophobic amino acids (such as Ile 128 and Met 154). Dabigatran ethyl ester has a higher affinity for thrombin and NQO2 than dabigatran . Dabigatran is a highly selective, reversible and effective thrombin inhibitor, which can be taken orally as a prodrug dabigatran etexilate . Read more...

Storage & Handling

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Storage	-20°C
Expiration Date	12 months from date of receipt.
Disclaimer	For research use only

Alternative Names

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Dabigatran ethyl ester, Dabigatran ethyl ester hydrochloride, Dabigatran ethyl ester Hydrochloride, Inhibitor, NQO2, inhibit, thrombin, Thrombin

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Compound Identifiers

PubChem CID

18412337 ↗

Key Properties

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No computed properties available.

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