Carbacrine | 1047632-37-0

• 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: Carbacrine
• 英文别名: N-[3-(9H-carbazol-4-yloxy)propyl]-N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)propane-1,3-diamine
• CAS: 1047632-37-0
• 化学式: C₃₁H₃₃ClN₄O
• 分子量: 513.082
• InChiKey: LPEKEPLZQKHSPL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8
• 重原子数：
  37
• 可旋转键数：
  10
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  62
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-(3-bromopropoxy)-9H-carbazole 、 N¹-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)propane-1,3-diamine 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 8.0h， 以40%的产率得到Carbacrine
  参考文献：
  名称：

  Inhibition of Acetylcholinesterase, β-Amyloid Aggregation, and NMDA Receptors in Alzheimer’s Disease: A Promising Direction for the Multi-target-Directed Ligands Gold Rush

  摘要：

  Alzheimer's disease (AD) is a multifactorial syndrome with several target proteins contributing to its etiology. To confront AD, an innovative strategy is to design single chemical entities able to simultaneously modulate more than one target. Here, we present compounds that inhibit acety1cholinesterase and NMDA receptor activity. Furthermore, these compounds inhibit AChE-induced AP aggregation and display antioxidant properties, emerging as lead candidates for treating AD.

  DOI：

  10.1021/jm800577j

文献信息

• Inhibition of Acetylcholinesterase, β-Amyloid Aggregation, and NMDA Receptors in Alzheimer’s Disease: A Promising Direction for the Multi-target-Directed Ligands Gold Rush
  作者：Michela Rosini、Elena Simoni、Manuela Bartolini、Andrea Cavalli、Luisa Ceccarini、Nicoleta Pascu、David W. McClymont、Andrea Tarozzi、Maria L. Bolognesi、Anna Minarini、Vincenzo Tumiatti、Vincenza Andrisano、Ian R. Mellor、Carlo Melchiorre

  DOI：10.1021/jm800577j

  日期：2008.8.1

  Alzheimer's disease (AD) is a multifactorial syndrome with several target proteins contributing to its etiology. To confront AD, an innovative strategy is to design single chemical entities able to simultaneously modulate more than one target. Here, we present compounds that inhibit acety1cholinesterase and NMDA receptor activity. Furthermore, these compounds inhibit AChE-induced AP aggregation and display antioxidant properties, emerging as lead candidates for treating AD.