3-<<2-<2-(4-hydroxyphenyl)acetamido>ethyl>amino>-1-<2-<(N-methylcarbamoyl)methoxy>phenoxy>propan-2-ol | 58027-85-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-<<2-<2-(4-hydroxyphenyl)acetamido>ethyl>amino>-1-<2-<(N-methylcarbamoyl)methoxy>phenoxy>propan-2-ol
• 英文别名: N-[2-[[2-hydroxy-3-[2-[2-(methylamino)-2-oxoethoxy]phenoxy]propyl]amino]ethyl]-2-(4-hydroxyphenyl)acetamide
• CAS: 58027-85-3
• 化学式: C₂₂H₂₉N₃O₆
• 分子量: 431.489
• InChiKey: WEWGWPHPWPDVHB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  31
• 可旋转键数：
  13
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  129
• 氢给体数：
  5
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  1-(o-N-methylcarbamoylmethoxyphenoxy)-2,3-epoxypropane 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 、 异丙醇 为溶剂， 25.0 ℃ 、101.33 kPa 条件下， 反应 18.0h， 生成 3-<<2-<2-(4-hydroxyphenyl)acetamido>ethyl>amino>-1-<2-<(N-methylcarbamoyl)methoxy>phenoxy>propan-2-ol
  参考文献：
  名称：

  .beta.-Adrenergic blocking agents. 23. 1-(Substituted-amido)phenoxy-3-[[(substituted-amido)alkyl]amino]propan-2-ols

  摘要：

  The synthesis of a series of 1-phenoxy-3-[(amidoalkyl)amino]propan-2-ols, in which the phenoxy ring is variously substituted with ortho and para amidic moieties, is described. Several of the compounds have beta-blocking potency comparable to that of propranolol and cardioselectivity similar to that of practolol, when given intravenously to anesthetized cats. In contrast to previous findings with cardioselective beta blockers, both ortho and para substitution give variable degrees of cardioselectivity. Potency, however, is favored by ortho substitution.

  DOI：

  10.1021/jm00357a008

文献信息

• CH614925
  申请人：——

  公开号：——

  公开（公告）日：——
• LARGE, M. S.;SMITH, L. H., J. MED. CHEM., 1983, 26, N 3, 352-357
  作者：LARGE, M. S.、SMITH, L. H.

  DOI：——

  日期：——
• .beta.-Adrenergic blocking agents. 23. 1-(Substituted-amido)phenoxy-3-[[(substituted-amido)alkyl]amino]propan-2-ols
  作者：M. S. Large、L. H. Smith

  DOI：10.1021/jm00357a008

  日期：1983.3

  The synthesis of a series of 1-phenoxy-3-[(amidoalkyl)amino]propan-2-ols, in which the phenoxy ring is variously substituted with ortho and para amidic moieties, is described. Several of the compounds have beta-blocking potency comparable to that of propranolol and cardioselectivity similar to that of practolol, when given intravenously to anesthetized cats. In contrast to previous findings with cardioselective beta blockers, both ortho and para substitution give variable degrees of cardioselectivity. Potency, however, is favored by ortho substitution.