(S,E)-5-(2-chlorophenylamino)-4-(3-(3,4-dimethoxyphenyl)acrylamido)-5-oxopentanoic acid | 1158726-64-7

• 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: (S,E)-5-(2-chlorophenylamino)-4-(3-(3,4-dimethoxyphenyl)acrylamido)-5-oxopentanoic acid
• 英文别名: (4S)-5-(2-chloroanilino)-4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-5-oxopentanoic acid
• CAS: 1158726-64-7
• 化学式: C₂₂H₂₃ClN₂O₆
• 分子量: 446.887
• InChiKey: UGRLXBNVYASYNP-YRYLYKBFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  31
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  114
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  (S,E)-2-(3-(3,4-dimethoxyphenyl)acrylamido)pentanedioic acid 、 邻氯苯胺 在 N,N'-二环己基碳二亚胺 作用下， 以 氯仿 为溶剂， 以39.3%的产率得到(S,E)-5-(2-chlorophenylamino)-4-(3-(3,4-dimethoxyphenyl)acrylamido)-5-oxopentanoic acid
  参考文献：
  名称：

  Novel aminopeptidase N inhibitors derived from antineoplaston AS2–5 (Part II)

  摘要：

  As our ongoing work, a series of peptidomimetic L-iso-glutamine derivatives derived from antineoplaston AS2-5 scaffold were prepared and their APN/CD13 and MMP-2 inhibitory activities were evaluated hereby. The results displayed that these compounds exhibited selective inhibition against APN as compared with MMP-2, with IC50 values in micromole range. Compounds A1 and A2 showed comparable APN inhibitory activities than the positive control bestatin. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.03.017