α,α,1-trimethyl-1H-indole-3-ethanamine | 72742-87-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: α,α,1-trimethyl-1H-indole-3-ethanamine
• 英文别名: α,α-1-TRIMETHYL-1H-INDOL-3-ETHANAMINE；2-methyl-1-(1-methyl-1H-indol-3-yl)propan-2-amine；2-methyl-1-(1-methylindol-3-yl)propan-2-amine
• CAS: 72742-87-1
• 化学式: C₁₃H₁₈N₂
• 分子量: 202.299
• InChiKey: ZQTZAQZLJXKHFD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  31
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  邻甲苯缩水甘油醚 、 α,α,1-trimethyl-1H-indole-3-ethanamine 反应 0.5h， 生成 1-[[2-(1-methyl-3-indolyl)-1,1-dimethylethyl]amino]-3-(2-methylphenoxy)-2-propanol
  参考文献：
  名称：

  Antihypertensive indole derivatives of phenoxypropanolamines with .beta.-adrenergic receptor antagonist and vasodilating activity

  摘要：

  A series of 25 aryloxypropanolamines containing the 3-indolyl-tert-butyl [i.e., 1,1-dimethyl-2-(1H-indol-3-yl)ethyl] or substituted 3-indolyl-tert-butyl moiety as the N substituent is reported. These compounds have been tested for antihypertensive activity in spontaneously hypertensive rats (SHR), beta-adrenergic receptor antagonist action in conscious normotensive rats, vasodilating activity in ganglion-blocked rats with blood pressure maintained by angiotensin II infusion, and for intrinsic sympathomimetic action (ISA) in reserpinized rats. Some of the compounds exhibit antihypertensive activity in combination with beta adrenergic receptor antagonist and vasodilating action. The structure--activity relationships in these tests are discussed.

  DOI：

  10.1021/jm00177a015
• 作为产物：
  描述：

  3-(2-甲基-2-硝基丙基)吲哚 在 氢氧化钾 、 镍 、 一水合肼 作用下， 以 乙醇 、 二甲基亚砜 为溶剂， 反应 2.75h， 生成 α,α,1-trimethyl-1H-indole-3-ethanamine
  参考文献：
  名称：

  Antihypertensive indole derivatives of phenoxypropanolamines with .beta.-adrenergic receptor antagonist and vasodilating activity

  摘要：

  A series of 25 aryloxypropanolamines containing the 3-indolyl-tert-butyl [i.e., 1,1-dimethyl-2-(1H-indol-3-yl)ethyl] or substituted 3-indolyl-tert-butyl moiety as the N substituent is reported. These compounds have been tested for antihypertensive activity in spontaneously hypertensive rats (SHR), beta-adrenergic receptor antagonist action in conscious normotensive rats, vasodilating activity in ganglion-blocked rats with blood pressure maintained by angiotensin II infusion, and for intrinsic sympathomimetic action (ISA) in reserpinized rats. Some of the compounds exhibit antihypertensive activity in combination with beta adrenergic receptor antagonist and vasodilating action. The structure--activity relationships in these tests are discussed.

  DOI：

  10.1021/jm00177a015

文献信息

• 3-Indolyl-tertiary butylaminopropanols
  申请人：Mead Johnson & Company

  公开号：US04234595A1

  公开（公告）日：1980-11-18

  1-Phenoxy-3-[(3-indolyl)-tert.-butyl]amino-2-propanols and related 1-aryloxy compounds are antihypertensive agents having vasodilator and adrenergic .beta.-receptor blocking action. Preferred compounds bear an ortho-substituent in the phenoxy group, and most preferably the cyano group.

  1-苯氧基-3-[(3-吲哚基)-叔丁基]氨基-2-丙醇和相关的1-芳氧基化合物是抗高血压药物，具有血管扩张和肾上腺素β-受体阻滞作用。首选化合物在苯氧基团中带有一个邻位取代基，最好是氰基。
• KREIGHBAUM, W. E.;COMER, W. T.
  作者：KREIGHBAUM, W. E.、COMER, W. T.

  DOI：——

  日期：——