4-[(ethylmethylamino)methyl]-benzaldehyde | 911431-51-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-[(ethylmethylamino)methyl]-benzaldehyde
• 英文别名: 4-[[Ethyl(methyl)amino]methyl]benzaldehyde；4-[[ethyl(methyl)amino]methyl]benzaldehyde
• CAS: 911431-51-1
• 化学式: C₁₁H₁₅NO
• 分子量: 177.246
• InChiKey: QDWIOMCIFHULMU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5,6-二甲氧基茚酮 、 4-[(ethylmethylamino)methyl]-benzaldehyde 在 氢氧化钾 作用下， 以 甲醇 为溶剂， 反应 3.0h， 以82.6%的产率得到(E )-2-{4-[(ethylmethylamino)methyl]benzylidene}-5,6-dimethoxy-2,3-dihydroinden-1-one
  参考文献：
  名称：

  Design, synthesis and AChE inhibitory activity of indanone and aurone derivatives

  摘要：

  A new series of indanone and aurone derivatives have been synthesized and tested for in vitro AChE inhibitory activity by modified Ellman method. Most of them exhibit AChE inhibitory activities superior to rivastigmine. Further, the most potent compound 1g was selected to evaluate the effect on the acquisition and memory impairment by mice step-down passive avoidance test. (C) 2008 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2008.03.003
• 作为产物：
  描述：

  methyl 4-[(ethylmethylamino)methyl]-benzoate 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 、 正戊烷 为溶剂， 反应 2.0h， 以47.8%的产率得到4-[(ethylmethylamino)methyl]-benzaldehyde
  参考文献：
  名称：

  Design, synthesis and AChE inhibitory activity of indanone and aurone derivatives

  摘要：

  A new series of indanone and aurone derivatives have been synthesized and tested for in vitro AChE inhibitory activity by modified Ellman method. Most of them exhibit AChE inhibitory activities superior to rivastigmine. Further, the most potent compound 1g was selected to evaluate the effect on the acquisition and memory impairment by mice step-down passive avoidance test. (C) 2008 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2008.03.003

文献信息

• Design, synthesis and evaluation of flavonoid derivatives as potent AChE inhibitors
  作者：Rong Sheng、Xiao Lin、Jing Zhang、Kim Sun Chol、Wenhai Huang、Bo Yang、Qiaojun He、Yongzhou Hu

  DOI：10.1016/j.bmc.2009.07.072

  日期：2009.9

  A new series of flavonoid derivatives have been designed, synthesized and evaluated as potent AChE inhibitors. Most of them showed more potent inhibitory activities to AChE than rivastigmine. The most potent inhibitor isoflavone derivative 10d inhibit AChE with a IC50 of 4 nM and showed high BChE/AChE inhibition ratio (4575-fold), superior to donepezil (IC50 = 12 nM, 389-fold). Molecular docking studies were also performed to explore the detailed interaction with AChE. (C) 2009 Elsevier Ltd. All rights reserved.
• Design, synthesis and AChE inhibitory activity of indanone and aurone derivatives
  作者：Rong Sheng、Yu Xu、Chunqi Hu、Jing Zhang、Xiao Lin、Jingya Li、Bo Yang、Qiaojun He、Yongzhou Hu

  DOI：10.1016/j.ejmech.2008.03.003

  日期：2009.1

  A new series of indanone and aurone derivatives have been synthesized and tested for in vitro AChE inhibitory activity by modified Ellman method. Most of them exhibit AChE inhibitory activities superior to rivastigmine. Further, the most potent compound 1g was selected to evaluate the effect on the acquisition and memory impairment by mice step-down passive avoidance test. (C) 2008 Elsevier Masson SAS. All rights reserved.