4-[3-Hydroxy-2-propyl-4-(pyridine-3-carbonyl)-phenoxymethyl]-benzaldehyde | 183013-73-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-[3-Hydroxy-2-propyl-4-(pyridine-3-carbonyl)-phenoxymethyl]-benzaldehyde
• CAS: 183013-73-2
• 化学式: C₂₃H₂₁NO₄
• 分子量: 375.424
• InChiKey: BYHXDYDRZZJXMC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.36
• 重原子数：
  28.0
• 可旋转键数：
  8.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  76.49
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  罗丹宁 、 4-[3-Hydroxy-2-propyl-4-(pyridine-3-carbonyl)-phenoxymethyl]-benzaldehyde 在 sodium acetate 、 溶剂黄146 作用下， 以45%的产率得到(5Z)-5-[[4-[[3-hydroxy-2-propyl-4-(pyridine-3-carbonyl)phenoxy]methyl]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
  参考文献：
  名称：

  Synthesis and structure-activity relationships of benzophenones as inhibitors of cathepsin D

  摘要：

  Non peptide inhibitors of cathepsin D, an aspartyl protease that has been implicated in many disease states including Alzheimer's disease, were prepared and evaluated. The most potent inhibitor of cathepsin D in this series was found to be (Z)-5-[[4-(4-benzoyl-3-hydroxy-2-propylphenoxy)methylphenyl]methylene]-2-thioxo-4-thiazolidinone (3f, IC50 = 210 nM). Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00393-9
• 作为产物：
  描述：

  2-正丙基间苯二酚 在 三氯化铝 、 potassium carbonate 、 potassium iodide 作用下， 以 二氯甲烷 、 丁酮 为溶剂， 生成 4-[3-Hydroxy-2-propyl-4-(pyridine-3-carbonyl)-phenoxymethyl]-benzaldehyde
  参考文献：
  名称：

  Synthesis and structure-activity relationships of benzophenones as inhibitors of cathepsin D

  摘要：

  Non peptide inhibitors of cathepsin D, an aspartyl protease that has been implicated in many disease states including Alzheimer's disease, were prepared and evaluated. The most potent inhibitor of cathepsin D in this series was found to be (Z)-5-[[4-(4-benzoyl-3-hydroxy-2-propylphenoxy)methylphenyl]methylene]-2-thioxo-4-thiazolidinone (3f, IC50 = 210 nM). Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00393-9