2-(1'-(2-methoxybenzyl)-1,4'-bipiperidin-4-ylamino)naphthalene-1,4-dione | 1350890-32-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 2-(1'-(2-methoxybenzyl)-1,4'-bipiperidin-4-ylamino)naphthalene-1,4-dione
• 英文别名: 2-[[1-[1-[(2-Methoxyphenyl)methyl]piperidin-4-yl]piperidin-4-yl]amino]naphthalene-1,4-dione
• CAS: 1350890-32-2
• 化学式: C₂₈H₃₃N₃O₃
• 分子量: 459.588
• InChiKey: GTXDMAYGPYHYSQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  61.9
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-甲氧基氯化苄 在 三乙酰氧基硼氢化钠 、 potassium carbonate 、 溶剂黄146 、 三氟乙酸 、 potassium iodide 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 14.0h， 生成 2-(1'-(2-methoxybenzyl)-1,4'-bipiperidin-4-ylamino)naphthalene-1,4-dione
  参考文献：
  名称：

  Synthesis of Monomeric Derivatives To Probe Memoquin’s Bivalent Interactions

  摘要：

  Eight monomeric congeners, related to the multitarget lead candidate memoquin, were prepared and evaluated at multiple targets to determine their profile against Alzheimer's disease. 2-4 bind to AChE with similar low nanomolar affinities and function as effective inhibitors of amyloid aggregation. The most potent monovalent ligand 2 also inhibits BACE-1 in vitro and APP metabolism in primary chicken telencephalic neurons.

  DOI：

  10.1021/jm200691d

文献信息

• Synthesis of Monomeric Derivatives To Probe Memoquin’s Bivalent Interactions
  作者：Maria Laura Bolognesi、GianPaolo Chiriano、Manuela Bartolini、Francesca Mancini、Giovanni Bottegoni、Valentina Maestri、Stefan Czvitkovich、Manfred Windisch、Andrea Cavalli、Anna Minarini、Michela Rosini、Vincenzo Tumiatti、Vincenza Andrisano、Carlo Melchiorre

  DOI：10.1021/jm200691d

  日期：2011.12.22

  Eight monomeric congeners, related to the multitarget lead candidate memoquin, were prepared and evaluated at multiple targets to determine their profile against Alzheimer's disease. 2-4 bind to AChE with similar low nanomolar affinities and function as effective inhibitors of amyloid aggregation. The most potent monovalent ligand 2 also inhibits BACE-1 in vitro and APP metabolism in primary chicken telencephalic neurons.