429658-95-7

• 常用中文名：N-[[2-[[[4-(氨基亚胺甲基)苯基]氨基]甲基]-1-甲基-1H-苯并咪唑-5-基]羰基]-N-2-吡啶基-beta-丙氨酸乙酯
• 常用英文名：Dabigatran (ethyl ester)
• CAS号：429658-95-7
• 分子式：C₂₇H₂₉N₇O₃
• 分子量：499.564
• 相关类别： 生物化工 氨基酸及其衍生物 丙氨酸类衍生物
• 发布时间：2018-08-11 13:47:28
• 更新时间：2026-07-11 06:19:24
• Dabigatran (ethyl ester)是新型的口服抗凝化合物和凝血酶抑制剂。

名称

• 中文名: N-[[2-[[[(4-(氨基亚胺甲基)苯基]胺基]甲基]-1甲基-1H-5-苯并咪唑]羰基]N-2-吡啶基-b-丙氨酸乙酯
• 英文名: ethyl 3-[[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate
• 中文别名: 达比加群乙基酯; 大比泻兰乙二醇酯杂质L; N-[[2-[[[4-(氨基亚胺甲基)苯基]氨基]甲基]-1-甲基-1H-苯并咪唑-5-基]羰基]-N-2-吡啶基-BETA-丙氨酸乙酯; 达比加群酯中间体甲磺酸盐; N-[[2-[[[(4-(氨基亚胺甲基)苯基]胺基]甲基]-1甲基-1H-5-苯并咪唑]羰基]N-2-吡啶基- -丙氨酸乙酯; 3-(2-(((4-氨基酰苯基)氨基)甲基)-1-甲基-N-(吡啶-2-基)-1H-苯并[D]咪唑-5-甲酰胺基)丙酸乙酯; 达比加群酯杂质; BIBR952,达比加群酯 杂质对照品; 达比加群乙酸乙酯杂质; N-[[2-[[[(4-(氨基亚胺甲基)苯基]胺基]甲基]-1甲基-1H-5-苯并咪唑]羰基]N-2-吡啶基-B-丙氨酸乙酯; 原研代码BIBR0951TS; 达比加群乙基酯 5; 达比加群乙酸乙酯; DABIGATRAN ETHYL ESTER 杂质; 达比加群酯杂质B; N-[[2-[[[(4-(氨基亚胺甲基)苯基]胺基]甲基]-1甲基-1H-5-苯并咪唑]羰基]N-2-吡啶基-丙氨酸乙酯(达比加群中间体); 达比加群酯杂质81; 达比加群酯中间体(醋酸盐或者盐酸盐); 达比加群杂质N; 达比加群杂质66; 3-(2-(((4-甲脒基苯基)氨基)甲基)-1-甲基-N-(吡啶-2-基)-1H-苯并[D]咪唑-5-甲酰胺基)丙酸乙酯; N-[[2-[[[4-(氨基亚胺甲基)苯基]氨基]甲基]-1-甲基-1H-苯并咪唑-5-基]羰基]; 达比加群中间体DB
• 英文别名: BIBR951TS; N - [[2 - [[[4 - (ammonia hetland of amine methyl) phenyl] amino) methyl] 1 - methyl - 1 - h - benzene and imidazole - 5 - base] carbonyl] - N - 2 - pyridyl - BETA - alanine ethyl ester; ethyl 3-[[2-[(4-cbamimidoylanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoat; Alanine, N-[[2-[[[4-(aMinoiMinoMethyl)phenyl]amino]Methyl]-1-Methyl-1H-benziMidazol-5-yl]carbonyl]-N-2-pyridinyl-, ethyl ester; C24; β-Alanine, N-[[2-[[[4-(aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-, ethyl ester; 3-({2-[(4-cbamimidoyl-phenylamino)-methyl]-1-methyl-1H-benzoimidazole-5-carbonyl}-pyridin-2-yl-amino)-propionate; 1-{[(4-fluorophenyl)amino]carbonyl}cyclopropanecboxylic acid (Intermediate of Cabozantinib malate); b-Alanine,N-[[2-[[[4-(aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-, ethyl ester; Ethyl 3-(2-(((4-cbamimidoylphenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole; Dabigatran ethyl ester HCl Salt; Dabigatran impurity 31/Dabigatran Ethyl Ester/N-[[2-[[[4-(Aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-beta-alanine ethyl ester; N-[[2-[[[4-(Aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-beta-alanine ethyl ester; BIBR-951CL; Dabigatran etexilate impurity187; Ethyl N-[(2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-2-pyridinyl-β-alaninate; Dabigatran ethyl AcOH Salt; Dabigatran ethyl AcOH Salt //BP; ethyl 3-[[2-[(4-cbamimidoylanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate; Ethyl N-[[2-[[[4-(aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-beta-alaninate; BIBR951CL; DabigatranEtexilateMesylateinterMediates-6; Sacubitril-Valstan Sodium Salt; Ethyl 3-(2-((4-cbaMiMidoylphenylaMino)Methyl)-1-Methyl-N-(pyridin-2-yl)-1H-benzo[d]iMidazole-5-cboxaMido)propanoate; Alanine, N-[[2-[[[4-(aminoiminomethyl)phenyl]amino]methyl]-1; BIBR 951CL; Ethyl N-[[2-[[[4-(Aminoiminomethyl)Phenyl]Amino]Methyl]; Ethyl 3-(2-(((4-carbamimidoylphenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate; 3-({2-[(4-CARBAMIMIDOYL-PHENYLAMINO)-METHYL]-3-METHYL-3H-BENZOIMIDAZOLE-5-CARBONYL}-PYRIDIN-2-YL-AMINO)-PROPIONIC ACID ETHYL ESTER; Dabigatran JPBA Impurity 3; Ethyl 3-(2-((4-cbaMiMidoylphenylaMino)Methyl)-1-Methyl-N-(pyridin-2-yl)-1H-ben; Ethyl -(4-amidinophenylamino) methyl)-1-methyl-N-(pyridin-2yl)-1H- benzo[d]imidazole-5-cboxamido) propanoate; Ethyl 3-(2-(((4-cbamimidoylphenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazo; Dabigatran Ethyl Ester Impurity; N - [[2 - [[[4 - (aminoiminomethyl) phenyl] amino] methyl] - 1-methyl-1h-benzimidazol-5-yl] carbonyl] - n-2-pyridyl-beta-alanine ethyl ester; Dabigatran Ethyl Ester Hydrochloride Salt Imp; BIBR951, Dabigatran Etexilate impurity; Dabigatran impurity 7/Dabigatran Ethyl Ester/N-[[2-[[[4-(Aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-beta-alanine ethyl ester; Dabigatran Etexilate Impurity 81; Dabigatran JPBA Impurity 3 (Mesylate Salt); 3-(2-(((4-cbamimidoylphenyl)amino)methyl)-1-methyl-N -(pyridin-2-yl)-1H-benzo[d]imidazole-5-cboxamido)prop anoate hydrochloride; Dabigatran Impurity 16; Dabigatran Impurity 1 3-({2-[(4-Cbamimidoyl-phenylamino)-methyl]-1-methyl-1H- benzoimidazole-5-carbonyl}-pyridin-2-yl-amino)-propionic acid ethyl ester; ethyl 3-(2-((4-cbamimidoylphenylamino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-cboxamido)propanoate hydrochloride; Dabigatran etexilate Imp.O; Dabigatran Ethyl Ester DISCONTINUED, offer stable D100135; Dabigatran ethyl ester

物化性质

• 密度: 1.3±0.1 g/cm3
• 沸点: 759.5±70.0 °C at 760 mmHg
• 分子式: C₂₇H₂₉N₇O₃
• 分子量: 499.564
• 闪点: 413.1±35.7 °C
• 精确质量: 499.233185
• PSA: 139.22000
• LogP: 1.78
• 蒸汽压: 0.0±2.6 mmHg at 25°C
• 折射率: 1.658
• 储存条件: 2-8℃

生物活性

• 描述: Dabigatran (ethyl ester)是新型的口服抗凝化合物和凝血酶抑制剂。
• 相关类别:
  信号通路 >> 代谢酶/蛋白酶 >> 凝血酶
  研究领域 >> 心血管疾病
• 参考文献:

  [1]. Simon Michaelis, Anett Marais, Anna K. Schrey, et al. Dabigatran and Dabigatran Ethyl Ester: Potent Inhibitors of Ribosyldihydronicotinamide Dehydrogenase (NQO2). J. Med. Chem., 2012, 55 (8):3934-3944

  [2]. Preetpal Singh Sidhu,Aiye Liang, Akul Y. Mehta,et al. Rational Design of Potent, Small, Synthetic Allosteric Inhibitors of Thrombin. J Med Chem. 2011; 54(15): 5522-5531.

  [3]. Santiago Redondo, Maria-Paz Martínez, Marta Ramajo, et al. Pharmacological basis and clinical evidence of dabigatran therapy. J Hematol Oncol. 2011; 4: 53.

  [4]. Stefan Blech, Thomas Ebner, Eva Ludwig-Schwellinger,et al. The Metabolism and Disposition of the Oral Direct Thrombin Inhibitor, Dabigatran, in Humans. DMD ,2008 , 36 (2) 386-399

  [5]. Dabigatran