5-[1,2]dithiolan-3-yl-pentanoic acid {6-[Ethyl-(2-methoxy-benzyl)-amino]-hexyl}-amide | 903588-26-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二硫杂环戊烷
• 英文名称: 5-[1,2]dithiolan-3-yl-pentanoic acid {6-[Ethyl-(2-methoxy-benzyl)-amino]-hexyl}-amide
• 英文别名: 5-(dithiolan-3-yl)-N-[6-[ethyl-[(2-methoxyphenyl)methyl]amino]hexyl]pentanamide
• CAS: 903588-26-1
• 化学式: C₂₄H₄₀N₂O₂S₂
• 分子量: 452.726
• InChiKey: PAPNIDWABUXIRG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  30
• 可旋转键数：
  16
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  92.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  N¹-ethyl-N¹-(2-methoxybenzyl)hexane-1,6-diamine 、 R-(+)-硫辛酸 在 petroleum ether toluene CH2Cl2 EtOH 作用下， 以afforded 18 as a waxy solid的产率得到5-[1,2]dithiolan-3-yl-pentanoic acid {6-[Ethyl-(2-methoxy-benzyl)-amino]-hexyl}-amide
  参考文献：
  名称：

  Tetrahydro-acridine and dithiolane derivatives

  摘要：

  通式（I）所识别的化合物用于治疗阿尔茨海默病。

  公开号：

  US07307083B2

文献信息

• Organic Compounds Useful For The Treatment Of Alzheimer's Disease, Their Use And Method Of Preparation
  申请人：Rosini Michela

  公开号：US20070219241A1

  公开（公告）日：2007-09-20

  Compounds identified by the general formula (I) are used for the treatment of Alzheimer's disease.

  通式(I)所识别的化合物用于治疗阿尔茨海默病。
• Organic Compounds Useful for the Treatment of Alzheimer's Disease, Their Use and Method of Preparation
  申请人：Rosini Michela

  公开号：US20070299093A1

  公开（公告）日：2007-12-27

  Compounds identified by the general formula (I) are used for the treatment of Alzheimer's disease.

  通式（I）所识别的化合物被用于治疗阿尔茨海默病。
• Exploiting the lipoic acid structure in the search for novel multitarget ligands against Alzheimer’s disease
  作者：Michela Rosini、Elena Simoni、Manuela Bartolini、Andrea Tarozzi、Riccardo Matera、Andrea Milelli、Patrizia Hrelia、Vincenza Andrisano、Maria Laura Bolognesi、Carlo Melchiorre

  DOI：10.1016/j.ejmech.2011.09.001

  日期：2011.11

  Lipoic acid (LA) is a natural antioxidant. Its structure was previously combined with that of the acetylcholinesterase inhibitor tacrine to give lipocrine (1), a lead compound multitargeted against Alzheimer's disease (AD). Herein, we further explore LA as a privileged structure for developing multimodal compounds to investigate AD. First, we studied the effect of LA chirality by evaluating the cholinesterase profile of 1's enantiomers. Then, a new series of LA hybrids was designed and synthesized by combining racemic LA with motifs of other known anticholinesterase agents (rivastigmine and memoquin). This afforded 4, which represents a step forward in the search for balanced anticholinesterase and antioxidant capacities. (C) 2011 Elsevier Masson SAS. All rights reserved.
• US7307083B2
  申请人：——

  公开号：US7307083B2

  公开（公告）日：2007-12-11
• Tetrahydro-acridine and dithiolane derivatives
  申请人：Alma Mater Studiorum-Universita'di Bologna

  公开号：US07307083B2

  公开（公告）日：2007-12-11

  Compounds identified by the general formula (I) are used for the treatment of Alzheimer's disease

  通式（I）所识别的化合物用于治疗阿尔茨海默病。