(R)-N1-(1-(4-methoxyphenyl)propan-2-yl)-N1-(prop-2-ynyl)-N6-(1,2,3,4-tetrahydroacridin-9-yl)hexane-1,6-diamine | 1430326-27-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: (R)-N1-(1-(4-methoxyphenyl)propan-2-yl)-N1-(prop-2-ynyl)-N6-(1,2,3,4-tetrahydroacridin-9-yl)hexane-1,6-diamine
• 英文别名: N'-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-N'-prop-2-ynyl-N-(1,2,3,4-tetrahydroacridin-9-yl)hexane-1,6-diamine
• CAS: 1430326-27-4
• 化学式: C₃₂H₄₁N₃O
• 分子量: 483.697
• InChiKey: JBBGGNXIRLPBOK-RUZDIDTESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  36
• 可旋转键数：
  13
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  37.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  对甲氧基苯基丙酮 在 L-酒石酸 、 palladium 10% on activated carbon 、 platinum on activated charcoal 、 氢气 、 potassium carbonate 、 potassium hydroxide 作用下， 以 甲醇 、 乙醇 、 二甲基亚砜 、 甲苯 、 乙腈 为溶剂， 反应 80.33h， 生成 (R)-N1-(1-(4-methoxyphenyl)propan-2-yl)-N1-(prop-2-ynyl)-N6-(1,2,3,4-tetrahydroacridin-9-yl)hexane-1,6-diamine
  参考文献：
  名称：

  A novel series of tacrine–selegiline hybrids with cholinesterase and monoamine oxidase inhibition activities for the treatment of Alzheimer's disease

  摘要：

  A novel series of tacrine-selegiline hybrids was synthesised and evaluated for application as inhibitors of cholinesterase (AChE/BuChE) and monoamine oxidase (MAO-A/B). The results demonstrate that most of the synthesised compounds exhibit high inhibitory activity. Among these compounds, compound 8g provided a good balance of activity towards all targets (with IC50 values of 22.6 nM, 9.37 nM, 0.3724 mu M, and 0.1810 mu M for AChE, BuChE, MAO-A and MAO-B, respectively). These results indicated that 8g has the potential to be a multi-functional candidate for Alzheimer's disease. (C) 2013 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2013.01.039