5-[1,2]dithiolan-3-yl-pentanoic acid [6-(1,2,3,4-tetrahydro-acridin-9-ylamino)-hexyl]-amide

• 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: 5-[1,2]dithiolan-3-yl-pentanoic acid [6-(1,2,3,4-tetrahydro-acridin-9-ylamino)-hexyl]-amide
• 英文别名: 5-(1,2-dithiolan-3-yl)-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]pentanamide；5-(dithiolan-3-yl)-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]pentanamide
• 化学式: C₂₇H₃₉N₃OS₂
• 分子量: 485.758
• InChiKey: GWKZBCSXCDIJEX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  33
• 可旋转键数：
  13
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  105
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  N1-(1,2,3,4-tetrahydroacridin-9-yl)hexane-1,6-diamine 、 Thioctic acid 在 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.25h， 以30%的产率得到5-[1,2]dithiolan-3-yl-pentanoic acid [6-(1,2,3,4-tetrahydro-acridin-9-ylamino)-hexyl]-amide
  参考文献：
  名称：

  Rational Approach To Discover Multipotent Anti-Alzheimer Drugs

  摘要：

  The coupling of two different pharmacophores, each endowed with different biological properties, afforded the hybrid compound lipocrine (7), whose biological profile was markedly improved relative to those of prototypes tacrine and lipoic acid. Lipocrine is the first compound that inhibits the catalytic activity of AChE and AChE-induced amyloid-beta aggregation and protects against reactive oxygen species. Thus, it emerged as a valuable pharmacological tool to investigate Alzheimer's disease and as a promising lead compound for new anti-Alzheimer drugs.

  DOI：

  10.1021/jm049112h

文献信息

• Rational Approach To Discover Multipotent Anti-Alzheimer Drugs
  作者：Michela Rosini、Vincenza Andrisano、Manuela Bartolini、Maria L. Bolognesi、Patrizia Hrelia、Anna Minarini、Andrea Tarozzi、Carlo Melchiorre

  DOI：10.1021/jm049112h

  日期：2005.1.1

  The coupling of two different pharmacophores, each endowed with different biological properties, afforded the hybrid compound lipocrine (7), whose biological profile was markedly improved relative to those of prototypes tacrine and lipoic acid. Lipocrine is the first compound that inhibits the catalytic activity of AChE and AChE-induced amyloid-beta aggregation and protects against reactive oxygen species. Thus, it emerged as a valuable pharmacological tool to investigate Alzheimer's disease and as a promising lead compound for new anti-Alzheimer drugs.