4-Methoxy-6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]chromen-2-one | 1075247-93-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 4-Methoxy-6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]chromen-2-one
• CAS: 1075247-93-6
• 化学式: C₂₂H₂₄N₂O₄
• 分子量: 380.444
• InChiKey: DJDQKHQRGCLRAU-UHFFFAOYSA-N

物化性质

• 熔点：
  126-128 °C
• 沸点：
  591.7±50.0 °C(predicted)
• 密度：
  1.28±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  51.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-methoxy-6-methylcoumarin 、 1-(4-甲氧基苯基)哌嗪 在 potassium carbonate 作用下， 以 乙醇 、 丙酮 为溶剂， 反应 48.0h， 以20%的产率得到4-Methoxy-6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]chromen-2-one
  参考文献：
  名称：

  Design, synthesis, and acetylcholinesterase inhibitory activity of novel coumarin analogues

  摘要：

  Three series (series A-C) of coumarin analogues with phenylpiperazine functions as substitution were designed and synthesized for studying their potential for treating Alzheimer's (AD) disease. Their anticholinesterase activities were assayed according to Ellmann's method against freshly prepared acetylcholinesterase (AChE) from Electrophorus electricus using donepezil as the reference compound. Pharmacological study and preliminary structure-activity relationships showed that coumarins with substitution on positions 3 and/or 4 have parallel anti-AchE activities compared with the reference compound. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.07.068

文献信息

• Design, synthesis, and acetylcholinesterase inhibitory activity of novel coumarin analogues
  作者：Xiang Zhou、Xiao-Bing Wang、Tao Wang、Ling-Yi Kong

  DOI：10.1016/j.bmc.2008.07.068

  日期：2008.9

  Three series (series A-C) of coumarin analogues with phenylpiperazine functions as substitution were designed and synthesized for studying their potential for treating Alzheimer's (AD) disease. Their anticholinesterase activities were assayed according to Ellmann's method against freshly prepared acetylcholinesterase (AChE) from Electrophorus electricus using donepezil as the reference compound. Pharmacological study and preliminary structure-activity relationships showed that coumarins with substitution on positions 3 and/or 4 have parallel anti-AchE activities compared with the reference compound. (C) 2008 Elsevier Ltd. All rights reserved.