(2S)-1-(4-carboxy-2-methylbutanoyl)-2,3-dihydroindole-2-carboxylic acid | 866029-96-1

• 英文名称: (2S)-1-(4-carboxy-2-methylbutanoyl)-2,3-dihydroindole-2-carboxylic acid
• CAS: 866029-96-1
• 化学式: C₁₅H₁₇NO₅
• 分子量: 291.304
• InChiKey: UXBJYCMWEMXGER-ACGXKRRESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.53
• 重原子数：
  21.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  94.91
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  ethyl 1-(4-carboethoxy-2R-methylbutanoyl)-indoline-2S-carboxylate 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 反应 2.0h， 生成 (2S)-1-(4-carboxy-2-methylbutanoyl)-2,3-dihydroindole-2-carboxylic acid
  参考文献：
  名称：

  Angiotensin converting enzyme inhibitors: 1-glutarylindoline-2-carboxylic acid derivatives

  摘要：

  The preparation of a series of 1-glutarylindoline-2(S)-carboxylic acid derivatives, 6a-v and 21a-c, is described. The above compounds were tested for inhibition of angiotensin converting enzyme. The structure-activity relationship of the series is also discussed. Compound 6u, the most potent member of the series, had an in vitro IC50 of 4.8 X 10(-9) M. Compound 6v, an ethyl ester of 6u, lowered blood pressure 70 mm in spontaneous hypertensive rats at an oral dose of 30 mg/kg.

  DOI：

  10.1021/jm00363a012