[3-({3-[(2-methoxybenzyl)methylamino]propyl}methylamino)propyl]carbamic acid tert-butyl ester | 837382-33-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [3-({3-[(2-methoxybenzyl)methylamino]propyl}methylamino)propyl]carbamic acid tert-butyl ester
• 英文别名: tert-butyl N-[3-[3-[(2-methoxyphenyl)methyl-methylamino]propyl-methylamino]propyl]carbamate
• CAS: 837382-33-9
• 化学式: C₂₁H₃₇N₃O₃
• 分子量: 379.543
• InChiKey: YERULIFJUDZVCM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  27
• 可旋转键数：
  13
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  54
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  [3-({3-[(2-methoxybenzyl)methylamino]propyl}methylamino)propyl]carbamic acid tert-butyl ester 在 三氟乙酸 作用下， 以 甲醇 、 氯仿 为溶剂， 反应 3.0h， 生成
  参考文献：
  名称：

  Propidium-Based Polyamine Ligands as Potent Inhibitors of Acetylcholinesterase and Acetylcholinesterase-Induced Amyloid-β Aggregation

  摘要：

  Heterodimers 4 and 5 were effective inhibitors of acetylcholinesterase (AChE) activity and AChE-induced amyloid-beta (Abeta) aggregation. The peculiar biological profile of 4 can be relevant in studying the molecular basis underlying the nonclassical action of AChE and in addressing the question whether AChE inhibitors can affect the neurotoxic cascade leading to Alzheimer's disease. Compound 4 emerged as the most potent heterodimer so far available to inhibit AChE-induced Abeta aggregation.

  DOI：

  10.1021/jm049156q
• 作为产物：
  描述：

  聚合甲醛 、 {3-[3-(2-methoxybenzylamino)propylamino]propyl}carbamic acid tert-butyl ester 在 sodium cyanoborohydride 、 溶剂黄146 作用下， 以 乙醇 为溶剂， 以83%的产率得到[3-({3-[(2-methoxybenzyl)methylamino]propyl}methylamino)propyl]carbamic acid tert-butyl ester
  参考文献：
  名称：

  Propidium-Based Polyamine Ligands as Potent Inhibitors of Acetylcholinesterase and Acetylcholinesterase-Induced Amyloid-β Aggregation

  摘要：

  Heterodimers 4 and 5 were effective inhibitors of acetylcholinesterase (AChE) activity and AChE-induced amyloid-beta (Abeta) aggregation. The peculiar biological profile of 4 can be relevant in studying the molecular basis underlying the nonclassical action of AChE and in addressing the question whether AChE inhibitors can affect the neurotoxic cascade leading to Alzheimer's disease. Compound 4 emerged as the most potent heterodimer so far available to inhibit AChE-induced Abeta aggregation.

  DOI：

  10.1021/jm049156q

文献信息

• Propidium-Based Polyamine Ligands as Potent Inhibitors of Acetylcholinesterase and Acetylcholinesterase-Induced Amyloid-β Aggregation
  作者：Maria Laura Bolognesi、Vincenza Andrisano、Manuela Bartolini、Rita Banzi、Carlo Melchiorre

  DOI：10.1021/jm049156q

  日期：2005.1.1

  Heterodimers 4 and 5 were effective inhibitors of acetylcholinesterase (AChE) activity and AChE-induced amyloid-beta (Abeta) aggregation. The peculiar biological profile of 4 can be relevant in studying the molecular basis underlying the nonclassical action of AChE and in addressing the question whether AChE inhibitors can affect the neurotoxic cascade leading to Alzheimer's disease. Compound 4 emerged as the most potent heterodimer so far available to inhibit AChE-induced Abeta aggregation.