1-[2-(Azepan-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one | 1225208-21-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 英文名称: 1-[2-(Azepan-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
• CAS: 1225208-21-8
• 化学式: C₁₈H₂₄F₃N₃O
• 分子量: 355.403
• InChiKey: GPOXSHFDBBJUJR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  26.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-(环己亚氨基)乙基氯 、 1-(3-trifluoromethyl-phenyl)-imidazolidin-2-one 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 1-[2-(Azepan-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
  参考文献：
  名称：

  The identification of a selective dopamine D2 partial agonist, D3 antagonist displaying high levels of brain exposure

  摘要：

  The identification of a highly selective D2 partial agonist, D3 antagonist tool molecule which demonstrates high levels of brain exposure and selectivity against an extensive range of dopamine, serotonin, adrenergic, histamine, and muscarinic receptors is described. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.01.090

文献信息

• The identification of a selective dopamine D2 partial agonist, D3 antagonist displaying high levels of brain exposure
  作者：Ian P. Holmes、Richard J. Blunt、Olivier E. Lorthioir、Stephen M. Blowers、Andy Gribble、Andrew H. Payne、Ian G. Stansfield、Martyn Wood、Patrick M. Woollard、Charlie Reavill、Claire M. Howes、Fabrizio Micheli、Romano Di Fabio、Daniele Donati、Silvia Terreni、Dieter Hamprecht、Luca Arista、Angela Worby、Steve P. Watson

  DOI：10.1016/j.bmcl.2010.01.090

  日期：2010.3

  The identification of a highly selective D2 partial agonist, D3 antagonist tool molecule which demonstrates high levels of brain exposure and selectivity against an extensive range of dopamine, serotonin, adrenergic, histamine, and muscarinic receptors is described. (C) 2010 Elsevier Ltd. All rights reserved.