Dabigatran ethyl ester hydrochloride 

Cat. No.: HY-77521 Purity: 99.36%
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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Free Sample (0.5-1 mg)   Apply now  
10 mM * 1 mL in DMSO USD 113 In-stock
Estimated Time of Arrival: December 31
5 mg USD 96 In-stock
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10 mg USD 156 In-stock
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50 mg USD 528 In-stock
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100 mg USD 840 In-stock
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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].

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].

Storage
Powder -20°C 3 years
  4°C 2 years
In solvent -80°C 6 months
  -20°C 1 month
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% corn oil

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

  • 3.

    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

*All of the co-solvents are provided by MCE.
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.

Molecular Weight

536.03

Formula

C₂₇H₃₀ClN₇O₃

CAS No.

211914-50-0

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

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Room temperature in continental US; may vary elsewhere

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Product Name:
Dabigatran ethyl ester hydrochloride
Cat. No.:
HY-77521
Quantity:

Dabigatran ethyl ester hydrochloride

Cat. No.: HY-77521