4-(2-Hydroxy-3-isopropylamino-propoxy)-naphthalene-1-sulfonic acid amide | 71111-19-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 4-(2-Hydroxy-3-isopropylamino-propoxy)-naphthalene-1-sulfonic acid amide
• 英文别名: 4-[2-Hydroxy-3-(propan-2-ylamino)propoxy]naphthalene-1-sulfonamide
• CAS: 71111-19-8
• 化学式: C₁₆H₂₂N₂O₄S
• 分子量: 338.428
• InChiKey: LIBPUQWWDYXCIJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  23
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  110
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  异丙胺 、 4-Oxiranylmethoxy-naphthalene-1-sulfonic acid amide 生成 4-(2-Hydroxy-3-isopropylamino-propoxy)-naphthalene-1-sulfonic acid amide
  参考文献：
  名称：

  Relationship of nonspecific antiarrhythmic and negative inotropic activity with physicochemical parameters of propranolol analogs

  摘要：

  In an attempt to separate the nonspecific antiarrhythmic activity of propranolol from its negative inotropic effects, analogues containing hydrophilic and lipophilic substituents on the nitrogen and on the naphthyl ring were prepared and tested in an isolated tissue preparation. Though it had been predicted that analogues containing a very hydrophilic group on the nitrogen would have the highest antiarrhythmic/negative inotropic effect ratio, it was found that both effects increased identically when the lipophilicity of either the nitrogen or ring substituent was increased.

  DOI：

  10.1021/jm00187a018