1,3-dihydro-4-<4-<2-(hydroxymethyl)-1H-imidazol-1-yl>-benzoyl>-5-methyl-2H-imidazol-2-one | 101184-06-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,3-dihydro-4-<4-<2-(hydroxymethyl)-1H-imidazol-1-yl>-benzoyl>-5-methyl-2H-imidazol-2-one
• 英文别名: 1,3-dihydro-4-[4-(2-hydroxymethyl-1H-imidazol-1-yl)benzoyl]-5-methyl-2H-imidazol-2-one；1,3-Dihydro-4-[4-[2-(hydroxymethyl)-1H-imidazol-1-yl]benzoyl]-5-methyl-2H-imidazol-2-one；4-[4-[2-(hydroxymethyl)imidazol-1-yl]benzoyl]-5-methyl-1,3-dihydroimidazol-2-one
• CAS: 101184-06-9
• 化学式: C₁₅H₁₄N₄O₃
• 分子量: 298.301
• InChiKey: XWPOMESIQCQYAC-UHFFFAOYSA-N

物化性质

• 熔点：
  308-310 °C (decomp)
• 密度：
  1.45±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  96.2
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1,3-dihydro-4-<4-(1H-imidazol-1-yl)-benzoyl>-5-methyl-2H-imidazol-2-one 在 聚合甲醛 作用下， 生成 1,3-dihydro-4-<4-<2-(hydroxymethyl)-1H-imidazol-1-yl>-benzoyl>-5-methyl-2H-imidazol-2-one
  参考文献：
  名称：

  Cardiotonic 1,3-dihydro-4-[[(imidazol-1-yl)aryl]carbonyl]imidazol-2-ones

  摘要：

  本发明提供了一种具有心血管特性的新型咪唑酮酰基芳基咪唑类化合物，特别是作为治疗充血性心力衰竭的强心剂。本发明还提供了含有这种化合物的药物制剂。此外，本发明还公开了一种制备这种化合物和其中间体的新方法。

  公开号：

  US04556665A1

文献信息

• Process for the preparation of imidazolonecarbonylarylimidazoles
  申请人：Schering A.G.

  公开号：US04709043A1

  公开（公告）日：1987-11-24

  Novel imidazolonecarbonylarylimidazoles are described having cardiovascular properties, especially as cardiotonic agents in the treatment of congestive heart failure. Pharmaceutical formulations containing such compounds are also provided. Further, a novel process for the preparation of the compounds and intermediates useful thereto of this invention is disclosed.

  本发明描述了具有心血管特性的新型咪唑烷酰基芳基咪唑，特别是作为治疗充血性心力衰竭的心脏强效药物。此外，还提供了含有这种化合物的制药配方。此外，还揭示了一种制备该化合物和中间体的新方法。
• Cardiotonic agents. 2. (Imidazolyl)aroylimidazolones, highly potent and selective positive inotropic agents
  作者：Alfred A. Hagedorn、Paul W. Erhardt、William C. Lumma、Ronald A. Wohl、Elinor Cantor、Yuo Ling Chou、William R. Ingebretsen、John W. Lampe、David Pang

  DOI：10.1021/jm00391a013

  日期：1987.8

  A series of 4-alkyl-1,3-dihydro-5-[(1H-imidazolyl)benzoyl]-2H-imidazol-2-ones 9 was synthesized and evaluated in vitro for positive inotropic and cyclic AMP phosphodiesterase inhibitory activity. A wide range of inotropic and enzyme-inhibitory potencies was observed, substitution on the imidazolyl moiety being the major determinant of activity. The 4-ethyl-5-[4-(1H-imidazol-1-yl)benzoyl] congener 9g exhibited the highest potency in vitro. Incorporation of a methyl group at the imidazolyl 2-position gave 9h, which was less potent but remarkably selective in vivo for positive inotropic effects over heart rate and hypotensive effects.
• HAGEDORN, A. A., III;ERHARDT, P. W.;LUMMA, W. C., JR.;WOHL, R. A.;CARTOR,+, J. MED. CHEM., 30,(1987) N 8, 1342-1347
  作者：HAGEDORN, A. A., III、ERHARDT, P. W.、LUMMA, W. C., JR.、WOHL, R. A.、CARTOR,+

  DOI：——

  日期：——
• Imidazolonecarbonylarylimidazoles; method of manufacture, method of use and compositions useful thereof
  申请人：SCHERING AKTIENGESELLSCHAFT

  公开号：EP0169164B1

  公开（公告）日：1990-01-31
• US4556665A
  申请人：——

  公开号：US4556665A

  公开（公告）日：1985-12-03