9-{[7-(1,2,3,4-Tetrahydroacridin-9-ylsulfanyl)heptyl]sulfanyl}-1,2,3,4-tetrahydroacridine | 104705-76-2

• 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: 9-{[7-(1,2,3,4-Tetrahydroacridin-9-ylsulfanyl)heptyl]sulfanyl}-1,2,3,4-tetrahydroacridine
• 英文别名: 9-[7-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)heptylsulfanyl]-1,2,3,4-tetrahydroacridine
• CAS: 104705-76-2
• 化学式: C₃₃H₃₈N₂S₂
• 分子量: 526.81
• InChiKey: IKDHJGMFECPDDI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.6
• 重原子数：
  37
• 可旋转键数：
  10
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  76.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  9-胺-1,2,3,4-四氢盐酸氯酯 在 氢氧化钾 作用下， 以 乙腈 为溶剂， 生成 9-{[7-(1,2,3,4-Tetrahydroacridin-9-ylsulfanyl)heptyl]sulfanyl}-1,2,3,4-tetrahydroacridine
  参考文献：
  名称：

  Novel and potent tacrine-related hetero- and homobivalent ligands for acetylcholinesterase and butyrylcholinesterase

  摘要：

  Based upon synthetic and biochemical results, a novel and potent tacrine analogue and heterobivalent analogues of tacrine, were designed. The role played by the amino groups of homo- and heterobivalent ligands in the interaction with the peripheral and catalytic sites of AChE and BuChE were investigated. The syntheses of these materials together with the results of AChE/BuChE inhibition assays are detailed. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00294-3

文献信息

• Preparation of new 9-alkylthio-1,2,3,4-tetrahydroacridine monomers and dimers
  作者：Genevieve Giovannangeli、Jean Claude Soyfer、Jean Pierre Galy、Jacques Barbe

  DOI：10.1021/je00043a038

  日期：1986.1
• Novel and potent tacrine-related hetero- and homobivalent ligands for acetylcholinesterase and butyrylcholinesterase
  作者：Luisa Savini、Giuseppe Campiani、Alessandra Gaeta、Cesare Pellerano、Caterina Fattorusso、Luisa Chiasserini、James M Fedorko、Ashima Saxena

  DOI：10.1016/s0960-894x(01)00294-3

  日期：2001.7

  Based upon synthetic and biochemical results, a novel and potent tacrine analogue and heterobivalent analogues of tacrine, were designed. The role played by the amino groups of homo- and heterobivalent ligands in the interaction with the peripheral and catalytic sites of AChE and BuChE were investigated. The syntheses of these materials together with the results of AChE/BuChE inhibition assays are detailed. (C) 2001 Elsevier Science Ltd. All rights reserved.