[4-(2-{Methyl-[2-(4-nitro-phenyl)-ethyl]-amino}-ethoxy)-phenyl]-morpholin-4-yl-methanone | 125174-36-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: [4-(2-{Methyl-[2-(4-nitro-phenyl)-ethyl]-amino}-ethoxy)-phenyl]-morpholin-4-yl-methanone
• 英文别名: [4-[2-[methyl-[2-(4-nitrophenyl)ethyl]amino]ethoxy]phenyl]-morpholin-4-ylmethanone
• CAS: 125174-36-9
• 化学式: C₂₂H₂₇N₃O₅
• 分子量: 413.473
• InChiKey: GCMAVEUPTAPDJX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.62
• 重原子数：
  30.0
• 可旋转键数：
  9.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  85.15
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  [4-(2-{Methyl-[2-(4-nitro-phenyl)-ethyl]-amino}-ethoxy)-phenyl]-morpholin-4-yl-methanone 在 氢气 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 生成 N-{4-[2-(Methyl-{2-[4-(morpholine-4-carbonyl)-phenoxy]-ethyl}-amino)-ethyl]-phenyl}-methanesulfonamide
  参考文献：
  名称：

  Selective class III antiarrhythmic agents. 1. Bis(arylalkyl)amines

  摘要：

  A series of bis(arylalkyl)amines is described and their effects on prolonging effective refractory period in isolated cardiac tissue listed. Most compounds prolonged the cardiac action potential without significantly altering the maximum rate of depolarization and may be defined as selective class III antiarrhythmic agents. It was found that a particularly advantageous structural feature was to have a methanesulfonamido moiety on both of the aryl rings. Thus, compound 16 [1-(4-methanesulfonamidophenoxy)2-[N-(4-methanesulfonamidophene thyl)-N- methylamine]ethane] was selected for further investigations. The compound is highly potent and selective class III agent which acts by blockade of cardiac potassium channels.

  DOI：

  10.1021/jm00166a011
• 作为产物：
  描述：

  N-甲基-[2-(4-硝基-苯基)-乙基]-胺 、 [4-(2-Bromo-ethoxy)-phenyl]-morpholin-4-yl-methanone 在 potassium carbonate 、 sodium iodide 作用下， 以 乙腈 为溶剂， 反应 72.0h， 生成 [4-(2-{Methyl-[2-(4-nitro-phenyl)-ethyl]-amino}-ethoxy)-phenyl]-morpholin-4-yl-methanone
  参考文献：
  名称：

  Selective class III antiarrhythmic agents. 1. Bis(arylalkyl)amines

  摘要：

  A series of bis(arylalkyl)amines is described and their effects on prolonging effective refractory period in isolated cardiac tissue listed. Most compounds prolonged the cardiac action potential without significantly altering the maximum rate of depolarization and may be defined as selective class III antiarrhythmic agents. It was found that a particularly advantageous structural feature was to have a methanesulfonamido moiety on both of the aryl rings. Thus, compound 16 [1-(4-methanesulfonamidophenoxy)2-[N-(4-methanesulfonamidophene thyl)-N- methylamine]ethane] was selected for further investigations. The compound is highly potent and selective class III agent which acts by blockade of cardiac potassium channels.

  DOI：

  10.1021/jm00166a011

文献信息

• CROSS, PETER E.;ARROWSMITH, JOHN E.;THOMAS, GEOFFREY N.;GWILT, MICHAEL;BU+, J. MED. CHEM., 33,(1990) N, C. 1151-1155
  作者：CROSS, PETER E.、ARROWSMITH, JOHN E.、THOMAS, GEOFFREY N.、GWILT, MICHAEL、BU+

  DOI：——

  日期：——