(S)-3-(4-(2,5-dimethoxyphenyl)-4-oxobutanamido)-N-(4-methoxyphenethyl)-2-oxo-4-phenylbutanamide | 1121703-43-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (S)-3-(4-(2,5-dimethoxyphenyl)-4-oxobutanamido)-N-(4-methoxyphenethyl)-2-oxo-4-phenylbutanamide
• 英文别名: (3S)-3-[[4-(2,5-dimethoxyphenyl)-4-oxobutanoyl]amino]-N-[2-(4-methoxyphenyl)ethyl]-2-oxo-4-phenylbutanamide
• CAS: 1121703-43-2
• 化学式: C₃₁H₃₄N₂O₇
• 分子量: 546.62
• InChiKey: SFHIUFZIHXCGMY-SANMLTNESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  40
• 可旋转键数：
  15
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  120
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  在 戴斯-马丁氧化剂 作用下， 以 二氯甲烷 为溶剂， 以88%的产率得到(S)-3-(4-(2,5-dimethoxyphenyl)-4-oxobutanamido)-N-(4-methoxyphenethyl)-2-oxo-4-phenylbutanamide
  参考文献：
  名称：

  Design and synthesis of 4-aryl-4-oxobutanoic acid amides as calpain inhibitors

  摘要：

  The involvement of mu-calpain in neurological disorders, such as stroke and Alzheimer's disease has attracted considerable interest in the use of calpain inhibitors as therapeutic agents. 4-Aryl-4-oxobutanoic acid amide derivatives 4 were designed as acyclic variants of mu-calpain inhibitory chromone and quinolinone derivatives. Of the compounds synthesized, 4c-2, which possesses a 2-methoxymethoxy group at the phenyl ring and a primary amide at the warhead region most potently inhibited mu-calpain (IC50 = 0.34 mu M). Our findings suggest that the 4-aryl-4-oxobutanoic acid amide derivatives should be considered as a new family of mu-calpain inhibitors. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.11.030