4-methoxycarbonyl-2-R-methylbutyric acid | 62115-18-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 4-methoxycarbonyl-2-R-methylbutyric acid
• 英文别名: 4-methoxycarbonyl-2-methylbutanoic acid；4-carbomethoxy-2-methylbutanoic acid；4-methoxycarbonyl-2-methylbutyric acid；5-methyl 2-methylglutarate；5-methoxy-2-methyl-5-oxopentanoic acid
• CAS: 62115-18-8
• 化学式: C₇H₁₂O₄
• mdl: MFCD00506204
• 分子量: 160.17
• InChiKey: TVADYQZCBVCKSS-UHFFFAOYSA-N

物化性质

• 沸点：
  271.7±23.0 °C(Predicted)
• 密度：
  1.123±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  11
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.714
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-methoxycarbonyl-2-R-methylbutyric acid 在 草酰氯 作用下， 生成 4-methoxy-carbonyl-2-methyl-butyryl chloride
  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
• 作为产物：
  描述：

  2-甲基戊二酸 在 乙酰氯 作用下， 反应 5.0h， 生成 4-methoxycarbonyl-2-R-methylbutyric 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

• EFTU INHIBITORS OR AMINOTHIAZOLES AND THEIR USES
  申请人：LaMarche Matthew J.

  公开号：US20080221142A1

  公开（公告）日：2008-09-11

  The present application describes organic compounds that are useful for the treatment, prevention and/or amelioration of diseases.

  本申请描述了对治疗、预防和/或改善疾病有用的有机化合物。
• 1-Carboxyalkanoylindoline-2-carboxylic acids
  申请人：Ciba-Geigy Corporation

  公开号：US04479963A1

  公开（公告）日：1984-10-30

  1-Carboxy-(alkanoyl or aralkanoyl)-indoline-2-carboxylic acids, e.g., those of the formula ##STR1## R=H, alkyl, alkoxy, halogeno or CF.sub.3 ; R'=H or R-phenyl; m=0 or 1; p,q=0 to 2; and derivatives thereof, are antihypertensive and cardioactive agents.

  1-羧基-(烷酰基或芳基烷酰基)-吲哚-2-羧酸，例如，具有以下结构式的化合物 ##STR1## R=H，烷基，烷氧基，卤素或CF.sub.3；R'=H或R-苯基；m=0或1；p，q=0至2；及其衍生物，是抗高血压和心脏活性药物。
• Carboxyacylproline derivatives
  申请人：E. R. Squibb & Sons, Inc.

  公开号：US04052511A1

  公开（公告）日：1977-10-04

  New carboxyalkylacylamino acids which are derivatives of proline, pipecolic acid and azetidine-2-carboxylic acid and have the general formula ##STR1## are useful as angiotensin converting enzyme inhibitors.

  新的羧基烷基酰胺酸是脯氨酸、吡啶甲酸和氮杂环戊二酸的衍生物，其通式为##STR1##，可用作肾素转化酶抑制剂。
• Hydroxycarbamoylalkylacylpipecolic acid compounds
  申请人：E. R. Squibb & Sons, Inc.

  公开号：US04154937A1

  公开（公告）日：1979-05-15

  New hydroxycarbamoylalkylacyl derivatives of pipecolic acid which have the general formula ##STR1## are useful as angiotensin converting enzyme inhibitors.

  新的羟基氨基甲酰烷基酰基吡啶甲酸衍生物具有一般公式##STR1##，可用作血管紧张素转换酶抑制剂。
• AMINOTHIAZOLES AND THEIR USES
  申请人：Bushell Simon

  公开号：US20140315790A1

  公开（公告）日：2014-10-23

  The present application describes organic compounds that are useful for the treatment, prevention and/or amelioration of diseases.

  本申请描述了对治疗、预防和/或改善疾病有用的有机化合物。