(2S,4S)-4-{[2-(5-Ethyl-1-methyl-7-oxo-3-propyl-1,7-dihydro-pyrazolo[4,3-d]pyrimidin-6-yl)-acetyl]-heptyl-amino}-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-ethyl ester | 511242-65-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (2S,4S)-4-{[2-(5-Ethyl-1-methyl-7-oxo-3-propyl-1,7-dihydro-pyrazolo[4,3-d]pyrimidin-6-yl)-acetyl]-heptyl-amino}-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-ethyl ester
• 英文别名: 1-O-tert-butyl 2-O-ethyl (2S,4S)-4-[[2-(5-ethyl-1-methyl-7-oxo-3-propylpyrazolo[4,3-d]pyrimidin-6-yl)acetyl]-heptylamino]pyrrolidine-1,2-dicarboxylate
• CAS: 511242-65-2
• 化学式: C₃₂H₅₂N₆O₆
• 分子量: 616.801
• InChiKey: SOGQRFKXCHRWKF-UPVQGACJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  44
• 可旋转键数：
  17
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  127
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  (2S,4S)-4-{[2-(5-Ethyl-1-methyl-7-oxo-3-propyl-1,7-dihydro-pyrazolo[4,3-d]pyrimidin-6-yl)-acetyl]-heptyl-amino}-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-ethyl ester 在 sodium carbonate 作用下， 以 甲醇 、 水 为溶剂， 以79%的产率得到(2S,4S)-4-{[2-(5-Ethyl-1-methyl-7-oxo-3-propyl-1,7-dihydro-pyrazolo[4,3-d]pyrimidin-6-yl)-acetyl]-heptyl-amino}-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester
  参考文献：
  名称：

  Synthetic studies of cis-4-Amino-l-proline derivatives as novel lipid lowering agents

  摘要：

  cis-4-Amino-L-proline derivatives 1 and 2 derived from quinazolinone and pyrazolo pyrimidone respectively were designed as novel lipid lowering agents. A preliminary in vivo screening indicates that 1b and 2a have moderate triglyceride lowering activity. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00799-0
• 作为产物：
  描述：

  (2S,4S)-4-Heptylamino-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-ethyl ester 在 potassium carbonate 、 三乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 96.0h， 生成 (2S,4S)-4-{[2-(5-Ethyl-1-methyl-7-oxo-3-propyl-1,7-dihydro-pyrazolo[4,3-d]pyrimidin-6-yl)-acetyl]-heptyl-amino}-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-ethyl ester
  参考文献：
  名称：

  Synthetic studies of cis-4-Amino-l-proline derivatives as novel lipid lowering agents

  摘要：

  cis-4-Amino-L-proline derivatives 1 and 2 derived from quinazolinone and pyrazolo pyrimidone respectively were designed as novel lipid lowering agents. A preliminary in vivo screening indicates that 1b and 2a have moderate triglyceride lowering activity. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00799-0