(S)-2-[p-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-hydroxypropoxy)phenyl]imidazole | 85648-11-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (S)-2-[p-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-hydroxypropoxy)phenyl]imidazole
• 英文别名: (2S)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[4-(1H-imidazol-2-yl)phenoxy]propan-2-ol
• CAS: 85648-11-9
• 化学式: C₂₂H₂₇N₃O₄
• 分子量: 397.474
• InChiKey: BEZXHPWSRAUJBW-SFHVURJKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  29
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  88.6
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  草酸醛 、 (S)-4-<3-<<2-(3,4-dimethoxyphenyl)ethyl>amino>-2-hydroxypropoxy>benzaldehyde 在 ammonium hydroxide 作用下， 以 甲醇 为溶剂， 反应 18.0h， 以3.0 g的产率得到(S)-2-[p-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-hydroxypropoxy)phenyl]imidazole
  参考文献：
  名称：

  .beta.1-Selective adrenoceptor antagonists: examples of the 2-[4-[3-(substituted-amino)-2-hydroxypropoxy]phenyl]imidazole class

  摘要：

  A series of 2-[4-[3-(substituted-amino)-2-hydroxypropoxy]phenyl]imidazoles is described. The compounds were investigated in vitro for beta-adrenoceptor antagonism, and several examples were found to be selective for the beta 1-adrenoceptor. The structure--activity relationship exhibited by this series of compounds is discussed. (S)-2-[p-[3-[[2-(3,4-dimethoxyphenyl)ethyl]amino]-2-hydroxypropoxy]phenyl]-4-(2 -thienyl)imidazole [(S)-13] was over 100 times more selective than atenolol for the beta 1-adrenergic receptor and has been selected for in-depth studies.

  DOI：

  10.1021/jm00361a004

文献信息

• US4440774A
  申请人：——

  公开号：US4440774A

  公开（公告）日：1984-04-03