1-<<2-<2-(2-aminophenyl)acetamido>ethyl>amino>-3-<2-<(N-methylcarbamoyl)methoxy>phenoxy>propan-2-ol | 58027-87-5

• 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: 1-<<2-<2-(2-aminophenyl)acetamido>ethyl>amino>-3-<2-<(N-methylcarbamoyl)methoxy>phenoxy>propan-2-ol
• 英文别名: 3-β-(2-aminophenylacetamido)ethylamino-1-(2-N-methylcarbamoylmethoxyphenoxy)-2-propanol；2-(2-Aminophenyl)-N-[2-[[2-hydroxy-3-[2-[2-(methylamino)-2-oxoethoxy]phenoxy]propyl]amino]ethyl]acetamide
• CAS: 58027-87-5
• 化学式: C₂₂H₃₀N₄O₅
• 分子量: 430.504
• InChiKey: ZCKSHEQSDAAFDI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 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：
  135
• 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 异丙醇 为溶剂， 反应 18.0h， 生成 1-<<2-<2-(2-aminophenyl)acetamido>ethyl>amino>-3-<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

• Alkanolamine derivatives
  申请人：Imperial Chemical Industries Limited

  公开号：US03959369A1

  公开（公告）日：1976-05-25

  Novel 1-amidoaryloxy-3-amidoalkylamino-2-propanol derivatives, processes for their manufacture, pharmaceutical compositions containing them and methods of using them in the treatment of heart diseases. The compounds possess .beta.-adrenergic blocking activity. Representative of the compounds disclosed is 1-o-(N-.beta.-hydroxyethylcarbamoylmethoxy)-phenoxy-3-.beta.-isobutyramido ethylamino-2-propanol.

  小说1-酰胺氧基-3-酰胺烷基氨基-2-丙醇衍生物，其制造过程，包含它们的制药组合物以及在治疗心脏疾病中使用它们的方法。这些化合物具有β-肾上腺素受体阻断活性。所披露的化合物代表是1-o-(N-β-羟乙基氨甲酰氨甲氧基)-苯氧基-3-β-异丁酰胺基乙基氨基-2-丙醇。
• 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：——