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Purity: ≥98%
Dabigatran Etexilate mesylate (BIBR-1048; BIBR 1048MS) is the prodrug of dabigatran which is a potent and nonpeptidic small molecule anti-thrombotic agent that specifically and reversibly inhibits both free and clot-bound thrombin by binding to the active site of the thrombin molecule. Dabigatran (also known as IBR 953) is a potent nonpeptide thrombin inhibitor that, in a cell-free assay, has an IC50 of 9.3 nM. Dabigatran's highly polar, zwitterionic nature and poor oral absorption make it intended to be transformed into an orally active prodrug, BIBR 1048. A competitive inhibition of thrombin is observed with dabigatran. Dabigatran is used in patients with certain types of irregular heartbeats to prevent stroke and dangerous blood clots. Dabigatran is also used to treat and lessen the chance of reoccurring blood clots in the veins of your legs or lungs. After hip replacement surgery, this medication may also be used to stop these blood clots from forming.
| Targets |
human thrombin (Ki = 4.5 nM)
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|---|---|
| ln Vivo |
Dabigatran etexilate mesylate (BIBR 1048MS; oral; 10, 20 and 50 mg/kg for rats and 1, 2.5 and 5 mg/kg for monkeys) has anticoagulant effects that are dose- and time-dependent, peaking 30 to 120 minutes after administration[1].
Dabigatran etexilate mesylate maximally and significantly increases partial thromboplastin time (aPTT) following oral doses of 10, 20, and 50 mg/kg to 25.2, 38.4, and 78.3 s in 30 min, respectively[1].
Dabigatran etexilate mesylate maximally extends the aPTT to 34.3 s, 44.0 s, and 63.0 s, in that order, two hours after giving the monkey doses of 1, 2.5, or 5 mg/kg[1].
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| Animal Protocol |
Male rats (280-350 g) and rhesus monkeys of either sex (3-8 kg)[1]
10, 20 and 50 mg/kg for rats and 1, 2.5 and 5 mg/kg for monkeys Oral |
| References | |
| Additional Infomation |
Dabigatran Etexilate Mesylate is an orally available mesylate salt form of the etexilate prodrug of dabigatran, a benzimidazole and direct thrombin inhibitor with anticoagulant activity. Upon administration, dabigatran etexilate is hydrolyzed by esterases and is converted into dabigatran. Dabigatran reversibly binds to and inhibits the activity of thrombin, a serine protease that converts fibrinogen into fibrin. This disrupts the coagulation cascade and inhibits the formation of blood clots.
A THROMBIN inhibitor which acts by binding and blocking thrombogenic activity and the prevention of thrombus formation. It is used to reduce the risk of stroke and systemic EMBOLISM in patients with nonvalvular atrial fibrillation. See also: Dabigatran (has active moiety); Dabigatran Etexilate (has active moiety). Drug Indication Prevention of thromboembolic events, Treatment of thromboembolic events |
| Molecular Formula |
C35H45N7O8S
|
|---|---|
| Molecular Weight |
723.846
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| Exact Mass |
723.305
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| Elemental Analysis |
C, 58.08; H, 6.27; N, 13.55; O, 17.68; S, 4.43
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| CAS # |
872728-81-9
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| Related CAS # |
Dabigatran;211914-51-1;Dabigatran-d4 hydrochloride;Dabigatran etexilate;211915-06-9;Dabigatran (ethyl ester);429658-95-7
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| PubChem CID |
135566083
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| Appearance |
White to yellow solid powder
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| LogP |
6.96
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
12
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| Rotatable Bond Count |
18
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| Heavy Atom Count |
51
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| Complexity |
1080
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C(NC(C1C=CC(NCC2N(C)C3C(=CC(C(N(CCC(OCC)=O)C4C=CC=CN=4)=O)=CC=3)N=2)=CC=1)=N)OCCCCCC.O=S(C)(O)=O
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| InChi Key |
XETBXHPXHHOLOE-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C34H41N7O5.CH4O3S/c1-4-6-7-10-21-46-34(44)39-32(35)24-12-15-26(16-13-24)37-23-30-38-27-22-25(14-17-28(27)40(30)3)33(43)41(20-18-31(42)45-5-2)29-11-8-9-19-36-29;1-5(2,3)4/h8-9,11-17,19,22,37H,4-7,10,18,20-21,23H2,1-3H3,(H2,35,39,44);1H3,(H,2,3,4)
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| Chemical Name |
ethyl 3-[[2-[[4-[(Z)-N'-hexoxycarbonylcarbamimidoyl]anilino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate;methanesulfonic acid
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| Synonyms |
Dabigatran etexilate mesylate; BIBR 1048MS; BIBR-1048MS; BIBR1048MS; BIBR-1048; BIBR1048; BIBR 1048; band name: Pradaxa
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO: 25~100 mg/mL (34.5~138.2 mM)
Ethanol: ~20 mg/mL (~27.6 mM) |
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (3.45 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (3.45 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (3.45 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.3815 mL | 6.9075 mL | 13.8150 mL | |
| 5 mM | 0.2763 mL | 1.3815 mL | 2.7630 mL | |
| 10 mM | 0.1382 mL | 0.6908 mL | 1.3815 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution 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 stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
| NCT Number | Recruitment | interventions | Conditions | Sponsor/Collaborators | Start Date | Phases |
| NCT04045093 | Recruiting | Drug: Dabigatran etexilate Drug: Warfarin |
Atrial Fibrillation Mitral Stenosis |
The University of Hong Kong | October 22, 2020 | Phase 4 |
| NCT04695106 | Recruiting | Drug: Ticagrelor Drug: Dabigatran Etexilate |
Atrial Fibrillation Antithrombotic Therapy |
Medical University of Gdansk | October 25, 2021 | Phase 4 |
| NCT05536791 | Recruiting | Drug: Dabigatran Etexilate (DE) |
Venous Thromboembolism | Boehringer Ingelheim | November 24, 2022 | |
| NCT05715658 | Recruiting | Drug: Dabigatran etexilate capsule |
Nonvalvular Atrial Fibrillation Health, Subjective |
Dongyang Liu | August 15, 2022 | Not Applicable |
| NCT05491460 | Active Recruiting |
Drug: Apixaban 5 MG Tab Drug: Dabigatran 150 MG Tab |
Anticoagulant Therapy | Doasense GmbH | July 1, 2022 | Phase 1 |
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