(Z)-6-((6-bromohexyl)oxy)-5-methoxy-2-(pyridin-4-ylmethylene)-2,3-dihydro-1H-inden-1-one | 1383938-37-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: (Z)-6-((6-bromohexyl)oxy)-5-methoxy-2-(pyridin-4-ylmethylene)-2,3-dihydro-1H-inden-1-one
• CAS: 1383938-37-1
• 化学式: C₂₂H₂₄BrNO₃
• 分子量: 430.341
• InChiKey: NOFDHKGMJBCFEU-PDGQHHTCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.25
• 重原子数：
  27.0
• 可旋转键数：
  9.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  48.42
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  咪唑 、 (Z)-6-((6-bromohexyl)oxy)-5-methoxy-2-(pyridin-4-ylmethylene)-2,3-dihydro-1H-inden-1-one 以 乙腈 为溶剂， 反应 2.0h， 以82%的产率得到(Z)-6-(6-(1H-imidazol-1-yl)hexyloxy)-5-methoxy-2-(pyridin-4-ylmethylene)-2,3-dihydro-1H-inden-1-one
  参考文献：
  名称：

  Design, synthesis, and evaluation of indanone derivatives as acetylcholinesterase inhibitors and metal-chelating agents

  摘要：

  A series of novel indanone derivatives was designed, synthesised and evaluated as potential agents for Alzheimer's disease. Among them, compound 6a, with a piperidine group linked to indone by a two-carbon spacer, exhibited the most potent inhibitor activity, with an IC50 of 0.0018 mu M for AChE; the inhibitory activity of this compound was 14-fold more potent than that of donepezil. Furthermore, these compounds also exhibited good metal-chelating ability. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.04.029
• 作为产物：
  描述：

  3-(4-羟基-3-甲氧基苯基)丙酸 在 甲烷磺酸 、 potassium carbonate 、 对甲苯磺酸 作用下， 以 甲苯 、 乙腈 为溶剂， 反应 9.0h， 生成 (Z)-6-((6-bromohexyl)oxy)-5-methoxy-2-(pyridin-4-ylmethylene)-2,3-dihydro-1H-inden-1-one
  参考文献：
  名称：

  Design, synthesis, and evaluation of indanone derivatives as acetylcholinesterase inhibitors and metal-chelating agents

  摘要：

  A series of novel indanone derivatives was designed, synthesised and evaluated as potential agents for Alzheimer's disease. Among them, compound 6a, with a piperidine group linked to indone by a two-carbon spacer, exhibited the most potent inhibitor activity, with an IC50 of 0.0018 mu M for AChE; the inhibitory activity of this compound was 14-fold more potent than that of donepezil. Furthermore, these compounds also exhibited good metal-chelating ability. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.04.029