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211914-51-1 (Dabigatran)

1

Identification

Dabigatran Dabigatran
Name Dabigatran
Formula C25H25N7O3
MW 471.51
CAS No. 211914-51-1
EINECS
Smiles N=C(N)C(C=C1)=CC=C1NCC2=NC3=CC(C(N(CCC(O)=O)C4=NC=CC=C4)=O)=CC=C3N2C
Synonyms BIBR 953;BIBR 953ZW;BIBR953;BIB-953; 3-(2-(((4-carbamimidoylphenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoic acid
InChI InChI=1S/C25H25N7O3/c1-31-20-10-7-17(25(35)32(13-11-23(33)34)21-4-2-3-12-28-21)14-19(20)30-22(31)15-29-18-8-5-16(6-9-18)24(26)27/h2-10,12,14,29H,11,13,15H2,1H3,(H3,26,27)(H,33,34)
2

Introduction

Dabigatran(BIB-953; BIBR 953ZW) is a reversible and selective, direct thrombin inhibitor (DTI) with Ki value of 4.5 nM. IC50 Value: 4.5 nM (Ki); 10 nM(Thrombin-induced platelet aggregation) [1] Target: thrombin in vitro: Dabigatran selectively and reversibly inhibited human thrombin(Ki: 4.5 nM) as well as thrombin-induced platelet aggregation (IC(50): 10 nM), while showing no inhibitory effect on other platelet-stimulating agents.Thrombin generation in platelet-poor plasma (PPP), measured as the endogenous thrombin potential (ETP) was inhibited concentration-dependently (IC(50): 0.56 microM).

Background Information

Novel potent nonpeptide thrombin inhibitor ......by AOBIOUS INC

BIBR 953 (Dabigatran, Pradaxa) is a highly selective, reversible, and potent thrombin inhibitor and is orally available as the prodrug, dabigatran etexilate. It has shown antithrombotic efficacy in animal models of thrombosis, with a rapid onset of action and predictable pharmacodynamic response.

......by AdooQ BioScience, LLC
Description ......by Apexbio Technology LLC
Dabigatran is a very potent anticoagulant´╝î shows that the terminal phenyl can be substituted by the more hydrophilic 2-pyridyl group without substantial loss of activity. ......by BOC Sciences
A reversible and selective, direct thrombin inhibitor (DTI) with Ki value of 4.5 nM; an anticoagulant agent used to prevent stroke with atrial fibrillation.ThrombosisApproved ......by ProbeChem
Dabigatran (BIBR 953) is a potent nonpeptide thrombin inhibitor with an IC50 of 9.3 nM in a cell-free assay. ......by Selleck Chemicals LLC
Dabigatran (BIBR 953) is a potent nonpeptide thrombin inhibitor with an IC50 of 9.3 nM. ......by Target Molecule Corp.
3

Protocol(Only for Reference)

Cell Experiment

Animal Experiment

Animal Models Rats
Dosage Form
Administration Administered via i.v.
Source Selleck Chemicals LLC
4

Physical and Chemical Properties

Appearance:White to off-white Solid EBNumber:EB000024483

Storage condition

Solubility

DMSO <1mg/mL; Water <1 mg/mL; Ethanol <1 mg/mL by MedChemexpress Co., Ltd.
(25┬░C) * In vitro 10% Trifluoroacetic acid water solution 33 mg/mL (69.98 mM); DMSO0.5 mg/mL (1.06 mM); Ethanol0.01 mg/mL (0.02 mM); In vivo 10% Trifluoroacetic acid water solution33 mg/mL by Selleck Chemicals LLC
5

Mechanism and Indication

6

Clinical Information

Product Name Sponsor & Collaborators Indications Start Date End Date Phase
Dabigatran Medical University of Vienna 2012/10/31 2013/5/31 Phase 4 Clinical
Dabigatran Boehringer Ingelheim Pharmaceuticals Inc Atrial fibrillation 2013/1/31 2017/2/28 Phase 4 Clinical
Dabigatran Aarhus University Hospital Blood clotting disorder 2013/1/31 2014/9/30 Phase 4 Clinical
Dabigatran Northwestern University Blood clotting disorder 2012/10/31 2014/12/31 Phase 4 Clinical
Dabigatran Johannes Gutenberg Universitat Mainz Acute coronary syndrome 2012/8/31 2015/8/31 Phase 4 Clinical
Dabigatran - Launched
Dabigatran - Phase 4
7

Safety Data of Dabigatran

8

Spectral Information

9

Suppliers List

Company Price and Availability Country/Region
AOBIOUS INC USA
AdooQ BioScience, LLC USA
Alfa Chemistry USA
Apexbio Technology LLC USA
Ark Pharm, Inc. USA
BOC Sciences 250mg/USD168(In stock)
Beijing Mesochem Technology Co., Ltd. China
Biochempartner Co., Ltd China
CHEMSCENE, LLC 5mg/USD96();10mg/USD168() USA
Cayman Chemical Company USA
Hangzhou Fst Pharmaceutical Co., Ltd. China
Hangzhou Qichuang Chemical Co., Ltd. China
Jinan Wedo Industrial Co., Ltd. China
LinkChem Shanghai Co., Ltd. China
MedChemexpress Co., Ltd. 5mg/USD96();10mg/USD168() USA
ProbeChem
Pure Chemistry Scientific Inc. 1g/USD46(In stock) USA
Selleck Chemicals LLC 5mg/USD170(In stock);10mg/USD320(In stock);50mg/USD970(In stock);200mg/USD2470(In stock) USA
Shanghai Haoyuan Chemexpress Co., Ltd. 5mg/USD96();10mg/USD168() China
Target Molecule Corp. 2mg/USD78();5mg/USD124();10mg/USD199();25mg/USD368();50mg/USD586() USA
Zhiwei (Shanghai) Chemical Technology Co., Ltd. China
10

Related Products

Other Forms of 211914-51-1

Name CAS No Formula MW
Dabigatran etexilate (mesylate) 872728-81-9 C35H45N7O8S 723.84
Dabigatran (ethyl ester) 429658-95-7 C27H29N7O3 499.56
Dabigatran etexilate 211915-06-9 C34H41N7O5 627.73
Dabigatran D4 1618637-32-3 C25H21D4N7O3 475.54
CP-409092 194098-25-4 C17H19N3O2 297.35
FK1052 129299-72-5 C18H19N3O 293.36296
FK1052 hydrochloride 129299-81-6 C18H20ClN3O 329.8239
Reglitazar 170861-63-9 C22H20N2O5 392.4
RP-60556A 278795-92-9 C24H20F2N4O3 450.44
Proxibarbal 2537-29-3 C10H14N2O4 226.23
ABT-072 1132936-00-5 C24H27N3O5S 469.55
GSK-1004723 955359-72-5 C39H49ClN4O2 641.28
Irindalone 96478-43-2 C24H29FN4O 408.51
Levophacetoperane (hydrochloride) 23257-56-9 C14H20ClNO2 269.77
Deramciclane 120444-71-5 C20H31NO 301.47

Recommended Compounds in Thrombin

Name CAS No Formula MW
Argatroban (monohydrate) 141396-28-3 C23H38N6O6S 526.6494
Argatroban 74863-84-6 C23H36N6O5S 508.63
Metolazone 17560-51-9 C16H16ClN3O3S 365.83
Napsagatran hydrate 159668-20-9 C26H36N6O7S 576.67
Napsagatran 154397-77-0 C26H34N6O6S 558.65
Bivalirudin (Trifluoroacetate) 128270-60-0 C98H138N24O33 2180.29
Dabigatran etexilate (mesylate) 872728-81-9 C35H45N7O8S 723.84
Dabigatran (ethyl ester hydrochloride) 211914-50-0 C27H30ClN7O3 536.0252
Dabigatran (ethyl ester) 429658-95-7 C27H29N7O3 499.56
Vorapaxar sulfate 705260-08-8 C29H35FN2O8S 590.66
Dabigatran etexilate 211915-06-9 C34H41N7O5 627.73
Inogatran 155415-08-0 C21H38N6O4 438.56
RWJ-445167 226566-43-4 C18H24N6O5S 436.49
AEBSF 30827-99-7 C8H11ClFNO2S 239.69
Sfllrnpndkyepf 137339-65-2 C81H118N20O23 1739.92382
NQ301 130089-98-4 C18H12ClNO3 0.0
Desethyl KBT-3022 101001-72-3 C23H20N2O4S 420.4809
RWJ-671818 C18H23F2N7O3 423.42
Dabigatran (D4 hydrochloride) C25H22D4ClN7O3 511.9967
Bivalirudin (Trifluoroacetate) 128270-60-0 C100H138DF3N24O35 2295.314831378

Recommended Compounds in Same Indication

Name CAS No Formula MW
Vernakalant 794466-70-9 C20H31NO4 349.46
Dabigatran etexilate (mesylate) 872728-81-9 C35H45N7O8S 723.84
Losmapimod 585543-15-3 C22H26FN3O2 383.46
Colchicine 64-86-8 C22H25NO6 399.44
5-R-Rivaroxaban 865479-71-6 C19H18ClN3O5S 435.88
Cilostazol 73963-72-1 C20H27N5O2 369.46
Vernakalant (Hydrochloride) 748810-28-8 C20H32ClNO4 385.93
Rivaroxaban 366789-02-8 C19H18ClN3O5S 435.88
Alogliptin 850649-61-5 C18H21N5O2 339.39
Edoxaban 480449-70-5 C24H30ClN7O4S 548.06
Edoxaban (tosylate) 480449-71-6 C31H38ClN7O7S2 720.26
Apixaban 503612-47-3 C25H25N5O4 459.5
Varespladib 172732-68-2 C21H20N2O5 380.39
Amiodarone (hydrochloride) 19774-82-4 C25H30ClI2NO3 681.77
Zolpidem 82626-48-0 C19H21N3O 307.39
Ticagrelor 274693-27-5 C23H28F2N6O4S 522.57
Betrixaban 330942-05-7 C23H22ClN5O3 451.91
Capadenoson 544417-40-5 C25H18ClN5O2S2 520.03
DAPT 208255-80-5 C23H26F2N2O4 432.46
Atorvastatin (hemicalcium salt) 134523-03-8 C66H68CaF2N4O10 1155.34
11

Route of Synthesis

12

References

13

More Information

Dabigatran

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