产品名称

英文名称：Dabigatran (BIBR 953)

同义词

3-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoic acid、MFCD09837830、3-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-pyridin-2-yl-amino]propanoic acid、BDBM50112086、N-、达比加群

产品性质

CAS编号：211914-51-1

分子式：C25H25N7O3

分子量：471.51

MDL号：MFCD09837830

PubChem编号：216210

别名：达比加群

英文别名：3-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoic acid|MFCD09837830|3-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-pyridin-2-yl-amino]propanoic acid|BDBM50112086|N-

规格或纯度：≥98%

英文名称：Dabigatran (BIBR 953)

生化机理：DescriptionIC50 Value 4.5nM (Ki); 10nM(Thrombin-induced platelet aggregation) [1]Dabigatran is a reversible and selective, direct thrombin inhibitor (DTI) undergoing advanced clinical development as its orally active prodrμg,dabigatran etexilate.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). Dabigatran demonstrated concentration-dependent anticoagulant effects in various species in vitro, doubling the activated partial thromboplastin time (aPTT), prothrombin time (PT) and ecarin clotting time (ECT) in human PPP at concentrations of 0.23, 0.83 and 0.18 microM, respectively [1].in vivo Dabigatran prolonged th

储存温度：-20°C储存

运输条件：超低温冰袋运输

产品介绍：Dabigatran (BIBR 953)是一种有效的非肽类凝血酶抑制剂，IC50为9.3 nM。A highly selective, reversible, and potent thrombin inhibitorDabigatran (BIBR 953) is a potent nonpeptide thrombin inhibitor with an IC50 of 9.3 nM.A highly selective, reversible, and potent thrombin inhibitor

ALogP：1.7

IUPAC Name：3-[[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]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)

InChi Key：YBSJFWOBGCMAKL-UHFFFAOYSA-N

Canonical 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

Isomeric 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

PubChem CID：216210

ChEMBL Ligand：CHEMBL48361

ChEBI：CHEBI70752

Wikipedia：Dabigatran

CAS Registry No.：211914-51-1

RCSB PDB Ligand：4CC

Reactome Reaction：R-HSA-9015379

Reactome Drug：R-ALL-9015346

溶解性：DMSO <1mg/mL; Water <1 mg/mL; Ethanol <1 mg/mL

敏感性：对空气敏感，对热敏感

熔点：270 °C(dec.)

象形图：

信号词：Warning

危险声明：H315 Causes skin irritationH319 Causes serious eye irritationH335 May cause respiratory irritationH302 Harmful if swallowed

预防措施声明：P261,P305+P351+P338,P280,P302+P352,P321,P405,P501,P264,P271,P270,P304+P340,P403+P233,P362+P364,P330,P264+P265,P301+P317,P337+P317,P332+P317,P319

产品包装