1,3-dimethyl-7-(4-oxo-4-(2-oxopiperidin-1-yl)-butyl)-3,7-dihydro-1H-purine-2,6-dione | 1075220-70-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 1,3-dimethyl-7-(4-oxo-4-(2-oxopiperidin-1-yl)-butyl)-3,7-dihydro-1H-purine-2,6-dione
• 英文别名: 1,3-Dimethyl-7-[4-oxo-4-(2-oxopiperidin-1-yl)butyl]purine-2,6-dione
• CAS: 1075220-70-0
• 化学式: C₁₆H₂₁N₅O₄
• 分子量: 347.374
• InChiKey: VRGZQXNSCCJLKX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  95.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  茶碱 、 N-(4-chlorobutyryl)-piperidin-2-one 在 potassium carbonate 、 potassium iodide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 以27.2%的产率得到1,3-dimethyl-7-(4-oxo-4-(2-oxopiperidin-1-yl)-butyl)-3,7-dihydro-1H-purine-2,6-dione
  参考文献：
  名称：

  Synthesis and structure–activity relationship studies of theophylline analogs on population responses in the rat hippocampus in vitro

  摘要：

  We synthesized several theophylline analogs and tested the hypothesis that these compounds may be nootropic or cognitive enhancers by examining their effects on evoked population spikes recorded extra-cellularly in the CA1 region of the rat hippocampus. Whereas the length of the carbon chain on N7 had no effect, different size of the terminal lactam ring strongly influenced neuroactivity. Our results suggest that hexahydroazepin-2-one analogs have potential for further development as cognitive enhancers. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.07.045

文献信息

• Synthesis and structure–activity relationship studies of theophylline analogs on population responses in the rat hippocampus in vitro
  作者：Kethireddy V.V. Ananthalakshmi、Tomáš Bartl、Mohammed H. Aziza、Ladislav Novotný、Radek Marek、Luděk Beneš、Samuel B. Kombian

  DOI：10.1016/j.bmc.2008.07.045

  日期：2008.9

  We synthesized several theophylline analogs and tested the hypothesis that these compounds may be nootropic or cognitive enhancers by examining their effects on evoked population spikes recorded extra-cellularly in the CA1 region of the rat hippocampus. Whereas the length of the carbon chain on N7 had no effect, different size of the terminal lactam ring strongly influenced neuroactivity. Our results suggest that hexahydroazepin-2-one analogs have potential for further development as cognitive enhancers. (C) 2008 Elsevier Ltd. All rights reserved.