| 1602491-18-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• CAS: 1602491-18-8
• 化学式: C₁₂H₂₃NO₃
• 分子量: 229.32
• InChiKey: ZUMYKDVXIRRXDO-OUAUKWLOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.24
• 重原子数：
  16.0
• 可旋转键数：
  6.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  69.56
• 氢给体数：
  3.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  、 9-芴甲基-N-琥珀酰亚胺基碳酸酯 在 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 (S)-2-((R)-2-((R)-1-(((9H-fluoren-9-yl)methoxy)carbonyl)pyrrolidin-2-yl)-1-hydroxyethyl)-4-methylpentanoic acid
  参考文献：
  名称：

  Effect of prime-site sequence of retro-inverso-modified HTLV-1 protease inhibitor

  摘要：

  The effects of additional substituents covering the prime-site of retro-inverso (RI)-modified HTLV-1 protease inhibitors containing a hydroxyethylamine isoster were clarified. Stereo-selective construction of the most potent isoster backbone was achieved by the Evans-aldol reaction. Addition of N-acetylated D-amino acid corresponding to the P-2(1) site gave an RI-modified inhibitor showing superior inhibitory activity to the previous inhibitor. Inhibitory activities of the newly synthesized inhibitors suggest that partially modified RI inhibitors would interact with HTLV-1 protease in the same manner as the parent hydroxyethylamine inhibitor. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2014.02.050
• 作为产物：
  描述：

  (S)-2-((R)-2-((R)-1-(tert-butoxycarbonyl)pyrrolidin-2-yl)-1-hydroxyethyl)-4-methylpentanoic acid 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Effect of prime-site sequence of retro-inverso-modified HTLV-1 protease inhibitor

  摘要：

  The effects of additional substituents covering the prime-site of retro-inverso (RI)-modified HTLV-1 protease inhibitors containing a hydroxyethylamine isoster were clarified. Stereo-selective construction of the most potent isoster backbone was achieved by the Evans-aldol reaction. Addition of N-acetylated D-amino acid corresponding to the P-2(1) site gave an RI-modified inhibitor showing superior inhibitory activity to the previous inhibitor. Inhibitory activities of the newly synthesized inhibitors suggest that partially modified RI inhibitors would interact with HTLV-1 protease in the same manner as the parent hydroxyethylamine inhibitor. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2014.02.050