Methyl 4-[2,4-bis(methoxymethoxy)phenyl]-4-oxobutanoate | 1226788-75-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Methyl 4-[2,4-bis(methoxymethoxy)phenyl]-4-oxobutanoate
• CAS: 1226788-75-5
• 化学式: C₁₅H₂₀O₇
• 分子量: 312.32
• InChiKey: PFUUCOYUCCQBJT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  22
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  80.3
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  Methyl 4-[2,4-bis(methoxymethoxy)phenyl]-4-oxobutanoate 在 水 、 potassium hydroxide 作用下， 以 甲醇 为溶剂， 生成 4-[2,4-Bis(methoxymethoxy)phenyl]-4-oxobutanoic acid
  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
• 作为产物：
  描述：

  4-(2,4-dihydroxy-phenyl)-4-oxo-butyric acid methyl ester 、 氯甲基甲基醚 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 Methyl 4-[2,4-bis(methoxymethoxy)phenyl]-4-oxobutanoate
  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