(Z)-5-methoxy-6-(2-(piperidin-1-yl)ethoxy)-2-(pyridin-2-ylmethylene)-2,3-dihydro-1H-inden-1-one

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: (Z)-5-methoxy-6-(2-(piperidin-1-yl)ethoxy)-2-(pyridin-2-ylmethylene)-2,3-dihydro-1H-inden-1-one
• 英文别名: (2Z)-5-methoxy-6-(2-piperidin-1-ylethoxy)-2-(pyridin-2-ylmethylidene)-3H-inden-1-one
• 化学式: C₂₃H₂₆N₂O₃
• 分子量: 378.471
• InChiKey: XCARREKMIQGPIC-JXAWBTAJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  51.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  6-羟基-5-甲氧基-1-茚酮 在 potassium carbonate 、 对甲苯磺酸 作用下， 以 甲苯 、 乙腈 为溶剂， 反应 10.0h， 生成 (Z)-5-methoxy-6-(2-(piperidin-1-yl)ethoxy)-2-(pyridin-2-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