1.4-Bis-[N-methyl-N.N-bis-(2-aethoxy-aethyl)-ammonioacetyl]-benzol-dibromid | 57313-43-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1.4-Bis-[N-methyl-N.N-bis-(2-aethoxy-aethyl)-ammonioacetyl]-benzol-dibromid
• CAS: 57313-43-6
• 化学式: 2Br*C₂₈H₅₀N₂O₆
• 分子量: 670.523
• InChiKey: MIESKMPRVHFIKU-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  37.0
• 可旋转键数：
  22.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  71.06
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  1,4-二乙酰苯 在 溴 、 溶剂黄146 作用下， 以 环己酮 为溶剂， 生成 1.4-Bis-[N-methyl-N.N-bis-(2-aethoxy-aethyl)-ammonioacetyl]-benzol-dibromid
  参考文献：
  名称：

  Nonclassical nicotine antagonists

  摘要：

  A series of "nonclassical" nicotine antagonists was synthesized and compared to the "classical" nicotine antagonist, hexamethonium, by means of the isolated guinea pig atria preparation. 2 was found to be the most potent, followed by hexamethonium and the other antagonists. With the exception of 5, the bisquaternary compounds 1-3 and 7-9 were found to be more potent than the monoquaternary compounds 4, 6, and 10-12. Within a series of compounds (1-6 or 7-12), those compounds possessing two phenyl rings proved to be more potent than those possessing one or three phenyl rings. These and other aspects of the structure-activity relationship of this class of compounds are discussed.

  DOI：

  10.1021/jm00245a028