1-(4-Carboxy-2-methyl-pentanoyl)-5-methyl-2,3-dihydro-1H-indole-2-carboxylic acid | 86362-12-1

• 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: 1-(4-Carboxy-2-methyl-pentanoyl)-5-methyl-2,3-dihydro-1H-indole-2-carboxylic acid
• 英文别名: 1-[(2R,4R)-4-carboxy-2-methylpentanoyl]-5-methyl-2,3-dihydroindole-2-carboxylic acid
• CAS: 86362-12-1
• 化学式: C₁₇H₂₁NO₅
• 分子量: 319.357
• InChiKey: NPQDICLNLGQFLG-HRQHSXBYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  94.9
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  (-)-(R,R)-2,4-二甲基戊二酸 在 三乙胺 、 乙酰氯 作用下， 以 甲苯 为溶剂， 反应 7.0h， 生成 1-(4-Carboxy-2-methyl-pentanoyl)-5-methyl-2,3-dihydro-1H-indole-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

文献信息

• Angiotensin converting enzyme inhibitors: 1-glutarylindoline-2-carboxylic acid derivatives
  作者：Norbert Gruenfeld、James L. Stanton、Andrew M. Yuan、Frank H. Ebetino、Leslie J. Browne、Candido Gude、Charles F. Huebner

  DOI：10.1021/jm00363a012

  日期：1983.9

  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.