2,5-bis[6-[ethyl-[(1R)-1-(2-methoxyphenyl)ethyl]amino]hexylamino]cyclohexa-2,5-diene-1,4-dione | 1185566-25-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2,5-bis[6-[ethyl-[(1R)-1-(2-methoxyphenyl)ethyl]amino]hexylamino]cyclohexa-2,5-diene-1,4-dione
• CAS: 1185566-25-9
• 化学式: C₄₀H₆₀N₄O₄
• 分子量: 660.941
• InChiKey: XVOJAMVHTPQUCR-ROJLCIKYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.8
• 重原子数：
  48
• 可旋转键数：
  24
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  83.1
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  、 2,5-二甲氧基-1,4-苯醌 以 乙醇 为溶剂， 生成 2,5-bis[6-[ethyl-[(1R)-1-(2-methoxyphenyl)ethyl]amino]hexylamino]cyclohexa-2,5-diene-1,4-dione
  参考文献：
  名称：

  Structure–activity relationships of memoquin: Influence of the chain chirality in the multi-target mechanism of action

  摘要：

  The present article expands on the study of structure-activity relationships of the novel class of quinone-bearing polyamines, as multi-target-directed ligands against Alzheimer's disease. Namely, the effect of inserting a methyl substituent at the alpha position of the terminal benzyl amine moieties of lead candidate 1 (memoquin) was evaluated at the multiple targets involved in the multifunctional mechanism of action. The RR stereoisomer 2 resulted more effective than 1 in reverting two important effects mediated by acetylcholinesterase (AChE), that is, acetylcholine hydrolysis and AChE-induced amyloid-beta aggregation. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.05.087

文献信息

• Structure–activity relationships of memoquin: Influence of the chain chirality in the multi-target mechanism of action
  作者：Maria Laura Bolognesi、Manuela Bartolini、Michela Rosini、Vincenza Andrisano、Carlo Melchiorre

  DOI：10.1016/j.bmcl.2009.05.087

  日期：2009.8

  The present article expands on the study of structure-activity relationships of the novel class of quinone-bearing polyamines, as multi-target-directed ligands against Alzheimer's disease. Namely, the effect of inserting a methyl substituent at the alpha position of the terminal benzyl amine moieties of lead candidate 1 (memoquin) was evaluated at the multiple targets involved in the multifunctional mechanism of action. The RR stereoisomer 2 resulted more effective than 1 in reverting two important effects mediated by acetylcholinesterase (AChE), that is, acetylcholine hydrolysis and AChE-induced amyloid-beta aggregation. (C) 2009 Elsevier Ltd. All rights reserved.