N,N'-bis[6,7,8,9-tetrahydro-11H-pyrido[2,1-b]quinazolin-11-ylidene]heptane-1,7-diamine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: N,N'-bis[6,7,8,9-tetrahydro-11H-pyrido[2,1-b]quinazolin-11-ylidene]heptane-1,7-diamine
• 英文别名: N-[7-(6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-ylideneamino)heptyl]-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-imine
• 化学式: C₃₁H₃₈N₆
• 分子量: 494.683
• InChiKey: GIMUKLKOMKVEDQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  37
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  55.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  6,7,8,9-tetrahydro-11H-pyrido[2,1-b]quinazoline-11-thione 、 1,7-二氨基庚烷 在 silver nitrate 、 三乙胺 作用下， 以 甲苯 为溶剂， 反应 2.0h， 以49%的产率得到N,N'-bis[6,7,8,9-tetrahydro-11H-pyrido[2,1-b]quinazolin-11-ylidene]heptane-1,7-diamine
  参考文献：
  名称：

  Homobivalent Quinazolinimines as Novel Nanomolar Inhibitors of Cholinesterases with Dirigible Selectivity toward Butyrylcholinesterase

  摘要：

  Homobivalent dimers of quinazolinimines, which bridge the imine nitrogen atoms via a hepta-and an octamethylene spacer, with different ring sizes of the alicycles were synthesized from the corresponding quinazolinethiones. The resulting compounds show > 100-fold increase of inhibitory activities compared to related monomeric compounds yielding low-nanomolar inhibitors. For heptamethylene dimers, mixed inhibition profiles were obtained, whereas for the octamethylene compounds selectivity toward butyrylcholinesterase (> 180) can be achieved with an eight-membered alicycle.

  DOI：

  10.1021/jm060682m

文献信息

• Homobivalent Quinazolinimines as Novel Nanomolar Inhibitors of Cholinesterases with Dirigible Selectivity toward Butyrylcholinesterase
  作者：Michael Decker

  DOI：10.1021/jm060682m

  日期：2006.9.1

  Homobivalent dimers of quinazolinimines, which bridge the imine nitrogen atoms via a hepta-and an octamethylene spacer, with different ring sizes of the alicycles were synthesized from the corresponding quinazolinethiones. The resulting compounds show > 100-fold increase of inhibitory activities compared to related monomeric compounds yielding low-nanomolar inhibitors. For heptamethylene dimers, mixed inhibition profiles were obtained, whereas for the octamethylene compounds selectivity toward butyrylcholinesterase (> 180) can be achieved with an eight-membered alicycle.