Name: Dabigatran
Brand: Selleck Chemicals
SKU: S2196
Rating: 5 (26 reviews)

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Quality Control

Batch: Purity: 99.91%

99.91

Cell Culture, Treatment & Working Concentration

Cell Lines	Assay Type	Incubation Time	Activity Description	PMID
HEK293 cells	Function assay	3 mins	Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay, IC50=4.7 μM	23241029
KB-3-1	qHTS assay		P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen	23241029
HEK293	Function assay	1.5 mins	Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay, IC50=25.3μM	23241029
Click to View More Cell Line Experimental Data

Chemical Information, Storage & Stability

Molecular Weight	471.51	Formula	C₂₅H₂₅N₇O₃	Storage (From the date of receipt)	3 years-20°Cpowder
CAS No.	211914-51-1	Download SDF		Storage of Stock Solutions	1 year-80°Cin solvent 1 month-20°Cin solvent
Synonyms	BIBR 953			Smiles	CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)O)C3=CC=CC=N3)N=C1CNC4=CC=C(C=C4)C(=N)N

Solubility

In vitro
Batch:

DMSO : 0.5 mg/mL (1.06 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO.)

Ethanol : 0.01 mg/mL

Water : Insoluble

Molarity Calculator

Mass	Concentration	Volume	Molecular Weight
=	×	×

Dilution Calculator Molecular Weight Calculator

In vivo Batch:
Clear solution	5%5%TFA 1 40%PEG300 2 5%Tween80 3 50%ddH2O Validated by Selleck labs. Should you need adjustments to this formulation, contact our sales team for custom testing.	0.300mg/ml (0.64mM)	Taking the 1 mL working solution as an example, add 50 μL of 6 mg/ml clarified 5%TFA stock solution to 400 μL of PEG300, mix evenly to clarify it; add 50 μL of Tween80 to the above system, mix evenly to clarify; then continue to add 500 μL of ddH2O to adjust the volume to 1 mL. The mixed solution should be used immediately for optimal results.

In vivo Formulation Calculator (Clear solution)

Step 1: Enter information below (Recommended: An additional animal making an allowance for loss during the experiment)

Dosage: mg/kg Average weight of animals: g Dosing volume per animal:μL Number of animals:

Step 2: Enter the in vivo formulation (This is only the calculator, not formulation. Please contact us first if there is no in vivo formulation at the solubility Section.)

% DMSO + % + % Tween 80 + % ddH₂O

%DMSO+ %

Calculation results:

Working concentration: mg/ml;

Method for preparing DMSO master liquid: mg drug pre-dissolved in μL DMSO ( Master liquid concentration mg/mL, Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug. )

Method for preparing in vivo formulation: Take μL DMSO master liquid, next addμL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH₂O, mix and clarify.

Method for preparing in vivo formulation: Take μL DMSO master liquid, next add μL Corn oil, mix and clarify.

Note: 1. Please make sure the liquid is clear before adding the next solvent.
2. Be sure to add the solvent(s) in order. You must ensure that the solution obtained, in the previous addition, is a clear solution before proceeding to add the next solvent. Physical methods such as vortex, ultrasound or hot water bath can be used to aid dissolving.

Mechanism of Action

Features	Dabigatran is a reversible, competitive, direct thrombin inhibitor.
Targets/IC₅₀/Ki	Thrombin (Cell-free assay) 9.3 nM
In vitro	BIBR 953 is a very potent anticoagulant. This compound shows that the terminal phenyl can be substituted by the more hydrophilic 2-pyridyl group without substantial loss of activity. It inhibits Thrombin, plasmin, factor Xa, trypsin, tPA and activated protein C with Ki of 4.5 nM, 1.7 μM, 3.8 μM, 50 nM, 45 μM and 20 μM, respectively. This chemical specifically and reversibly inhibits Thrombin.
In vivo	BIBR 953 exhibits the most favourable activity profile following i.v. administration to rats. The bioavailability of this compound after p.o. administration of dabigatran etexilate is 7.2%. It is predominantly excreted in the faeces after p.o. treatment and in the urine after i.v. treatment. The mean terminal half-life of this chemical is approximately 8 hours. Its acylglucuronides account for 0.4% and 4% of the dose in urine after p.o. and i.v. dosing, respectively.
References	[1] https://pubmed.ncbi.nlm.nih.gov/11960487/ [2] https://pubmed.ncbi.nlm.nih.gov/17506785/ [3] https://pubmed.ncbi.nlm.nih.gov/18006647/

Clinical Trial Information

(data from https://clinicaltrials.gov, updated on 2024-05-22)

NCT Number	Recruitment	Conditions	Sponsor/Collaborators	Start Date	Phases
NCT06360055	Recruiting	Health	Peking University Third Hospital	April 1 2024	Not Applicable
NCT05966740	Recruiting	Venous Thromboembolism	Boehringer Ingelheim\|Children''s Hospital Acquired Thrombosis consortium	October 31 2023	--
NCT05673889	Completed	Healthy	Pfizer\|Arvinas Estrogen Receptor Inc.	January 27 2023	Phase 1

Tech Support

Handling Instructions

Tel: +1-832-582-8158 Ext:3

If you have any other enquiries, please leave a message.

Frequently Asked Questions

Question 1:
We want to use it for an in vivo study with rats. Do you have any suggestions?

Answer:
It has very low solubility in water or DMSO. We suggest that you dissolve this compound in aqueous acidic solution (The acids are preferably selected from among hydrochloric acid, hydrobromic acid, sulfuric acid, phosphoric acid, methansulphonic acid, acetic acid, fumaric acid, citric acid, tartaric acid, and maleic acid. Of particular interest is hydrochloric acid. ), with pH < 3, preferably < 2. Please refer to the following reference: http://www.sumobrain.com/patents/wipo/Lyophilised-dabigatran/WO2010086329.html.

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Dabigatran Thrombin inhibitor

Chemical Structure

Molecular Weight: 471.51