2. Metabolic Enzyme/Protease
  3. Thrombin
  4. Dabigatran ethyl ester hydrochloride

Dabigatran ethyl ester hydrochloride 

Cat. No.: HY-77521
Handling Instructions

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

For research use only. We do not sell to patients.

Dabigatran ethyl ester hydrochloride Chemical Structure

Dabigatran ethyl ester hydrochloride Chemical Structure

CAS No. : 211914-50-0

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10 mM * 1 mL in DMSO USD 71 In-stock
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Based on 1 publication(s) in Google Scholar

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  • Biological Activity

  • Protocol

  • Purity & Documentation

  • References

  • Customer Review

Description

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

IC50 & Target

IC50: 0.8 μM (NQO2)[1]
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[1]. Dabigatran is a highly selective, reversible, and potent thrombin inhibitor and is orally available as the prodrug, dabigatran etexilate[2].

MCE has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo

Dabigatran (Ki=4.5 nM) could bind to human thrombin selectively, and reversibly to realize a strong and long-lasting anticoagulant effect[3].

MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Molecular Weight

536.03

Appearance

Solid

Formula

C27H30ClN7O3
CAS No.
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
Shipping

Room temperature in continental US; may vary elsewhere.
Storage

4°C, sealed storage, away from moisture

*In solvent : -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture)
Solvent & Solubility
In Vitro: 

DMSO : ≥ 50 mg/mL (93.28 mM)

H2O : 5 mg/mL (9.33 mM; Need ultrasonic)

*"≥" means soluble, but saturation unknown.

Preparing
Stock Solutions
Concentration Solvent Mass 1 mg 5 mg 10 mg
1 mM 1.8656 mL 9.3278 mL 18.6557 mL
5 mM 0.3731 mL 1.8656 mL 3.7311 mL
10 mM 0.1866 mL 0.9328 mL 1.8656 mL
*Please refer to the solubility information to select the appropriate solvent.
In Vivo:
  • 1.

    Add each solvent one by one:  10% DMSO    40% PEG300    5% Tween-80    45% saline

    Solubility: ≥ 2.5 mg/mL (4.66 mM); Clear solution

  • 2.

    Add each solvent one by one:  10% DMSO    90% (20% SBE-β-CD in saline)

    Solubility: ≥ 2.5 mg/mL (4.66 mM); Clear solution

  • 3.

    Add each solvent one by one:  10% DMSO    90% corn oil

    Solubility: ≥ 2.5 mg/mL (4.66 mM); Clear solution

*All of the co-solvents are available by MCE.
Purity & Documentation
References
Kinase Assay
[1]

NQO2 (0.5 μM) is incubated with the substrate mitomycin C (50 μM) and four different Dabigatran concentrations in 100 mM potassium phosphate buffer (pH 5.8) at room temperature for 5 min prior to the addition of NADH (in increasing concentrations) as a cosubstrate and photometric monitoring at 340 nm for 30 min at rt. Ki values are determined. Data generated are used to calculate the IC50 of inhibition of NQO2 activity[1].

MCE has not independently confirmed the accuracy of these methods. They are for reference only.
References
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Help & FAQs
  • Do most proteins show cross-species activity?

    Species cross-reactivity must be investigated individually for each product. Many human cytokines will produce a nice response in mouse cell lines, and many mouse proteins will show activity on human cells. Other proteins may have a lower specific activity when used in the opposite species.

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This equation is commonly abbreviated as: C1V1 = C2V2

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Keywords:

Dabigatran ethyl ester211914-50-0ThrombinInhibitorinhibitorinhibit

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