(E)-1-(2-hydroxy-3-((4-(4-hydroxy-2-methoxy-5-((E)-3-phenylprop-2-enoyl)benzyl)piperazin-1-yl)methyl)-4-methoxyphenyl)-3-phenylprop-2-en-1-one | 1421424-67-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: (E)-1-(2-hydroxy-3-((4-(4-hydroxy-2-methoxy-5-((E)-3-phenylprop-2-enoyl)benzyl)piperazin-1-yl)methyl)-4-methoxyphenyl)-3-phenylprop-2-en-1-one
• 英文别名: (E)-1-[2-hydroxy-3-[[4-[[4-hydroxy-2-methoxy-5-[(E)-3-phenylprop-2-enoyl]phenyl]methyl]piperazin-1-yl]methyl]-4-methoxyphenyl]-3-phenylprop-2-en-1-one
• CAS: 1421424-67-0
• 化学式: C₃₈H₃₈N₂O₆
• 分子量: 618.73
• InChiKey: OEONJMBSXPXLRA-DISAMGIASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  46
• 可旋转键数：
  12
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  99.5
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  哌嗪 、 聚合甲醛 、 2'-羟基-4'-甲氧基查耳酮 以 异丙醇 为溶剂， 反应 5.0h， 生成 (2E,2'E)-1,1'-(5,5'-(piperazine-1,4-diylbis(methylene))bis(2-hydroxy-4-methoxy-5,1-phenylene))bis(3-phenylprop-2-en-1-one) 、 (E)-1-(2-hydroxy-3-((4-(4-hydroxy-2-methoxy-5-((E)-3-phenylprop-2-enoyl)benzyl)piperazin-1-yl)methyl)-4-methoxyphenyl)-3-phenylprop-2-en-1-one 、 (2E,2'E)-1,1'-(3,3'-(piperazine-1,4-diylbis(methylene))bis(2-hydroxy-4-methoxy-3,1-phenylene))bis(3-phenylprop-2-en-1-one)
  参考文献：
  名称：

  Synthesis of Antioxidants for Prevention of Age-Related Macular Degeneration

  摘要：

  Photooxidation of A2E may be involved in diseases of the macula, and antioxidants could serve as therapeutic agents for these diseases. Inhibitors of A2E photooxidation were prepared by Mannich reaction of the antioxidant quercetin. These compounds contain water-solubilizing amine groups, and several were more potent inhibitors of A2E photooxidation than quercetin.

  DOI：

  10.1021/np300769c

文献信息

• Synthesis of Antioxidants for Prevention of Age-Related Macular Degeneration
  作者：Dharati Joshi、James Field、John Murphy、Mohammed Abdelrahim、Heike Schönherr、Janet R. Sparrow、George Ellestad、Koji Nakanishi、Arie Zask

  DOI：10.1021/np300769c

  日期：2013.3.22

  Photooxidation of A2E may be involved in diseases of the macula, and antioxidants could serve as therapeutic agents for these diseases. Inhibitors of A2E photooxidation were prepared by Mannich reaction of the antioxidant quercetin. These compounds contain water-solubilizing amine groups, and several were more potent inhibitors of A2E photooxidation than quercetin.