1,7-Bis(3,4-dimethoxyphenyl)-5-hydroxy-4,4-dimethylheptan-3-one | 1537182-89-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 1,7-Bis(3,4-dimethoxyphenyl)-5-hydroxy-4,4-dimethylheptan-3-one
• 英文别名: 1,7-bis(3,4-dimethoxyphenyl)-5-hydroxy-4,4-dimethylheptan-3-one
• CAS: 1537182-89-0
• 化学式: C₂₅H₃₄O₆
• 分子量: 430.541
• InChiKey: OBQYGEYRADEHDE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  31
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  74.2
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  在 palladium on activated charcoal 、 氢气 作用下， 以 甲醇 、 乙酸乙酯 为溶剂， 以28%的产率得到1,7-bis(3,4-dimethoxyphenyl)-4,4-dimethylheptane-3,5-dione
  参考文献：
  名称：

  Synthesis and evaluation of curcumin derivatives toward an inhibitor of beta-site amyloid precursor protein cleaving enzyme 1

  摘要：

  To research a new non-peptidyl inhibitor of beta-site amyloid precursor protein cleaving enzyme 1, we focused on the curcumin framework, two phenolic groups combined with an sp(2) carbon spacer for low-molecular and high lipophilicity. The structure-activity relationship study of curcumin derivatives is described. Our results indicate that phenolic hydroxy groups and an alkenyl spacer are important structural factors for the inhibition of beta-site amyloid precursor protein cleaving enzyme 1 and, furthermore, non-competitive inhibition of enzyme activity is anticipated from an inhibitory kinetics experiment and docking simulation. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.11.039

文献信息

• Synthesis and evaluation of curcumin derivatives toward an inhibitor of beta-site amyloid precursor protein cleaving enzyme 1
  作者：Hiroyuki Konno、Hitoshi Endo、Satomi Ise、Keiki Miyazaki、Hideo Aoki、Akira Sanjoh、Kazuya Kobayashi、Yasunao Hattori、Kenichi Akaji

  DOI：10.1016/j.bmcl.2013.11.039

  日期：2014.1

  To research a new non-peptidyl inhibitor of beta-site amyloid precursor protein cleaving enzyme 1, we focused on the curcumin framework, two phenolic groups combined with an sp(2) carbon spacer for low-molecular and high lipophilicity. The structure-activity relationship study of curcumin derivatives is described. Our results indicate that phenolic hydroxy groups and an alkenyl spacer are important structural factors for the inhibition of beta-site amyloid precursor protein cleaving enzyme 1 and, furthermore, non-competitive inhibition of enzyme activity is anticipated from an inhibitory kinetics experiment and docking simulation. (C) 2013 Elsevier Ltd. All rights reserved.