6-(4-chlorobenzyl)-3-(4-[(2-diethylamino)ethoxy]phenyl)-7H-thiazolo[3,2-b]-1,2,4-triazin-7-one

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 6-(4-chlorobenzyl)-3-(4-[(2-diethylamino)ethoxy]phenyl)-7H-thiazolo[3,2-b]-1,2,4-triazin-7-one
• 英文别名: 6-[(4-Chlorophenyl)methyl]-3-[4-[2-(diethylamino)ethoxy]phenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one；6-[(4-chlorophenyl)methyl]-3-[4-[2-(diethylamino)ethoxy]phenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
• 化学式: C₂₄H₂₅ClN₄O₂S
• 分子量: 469.007
• InChiKey: AEDUXONMFYBGJU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.78
• 重原子数：
  32.0
• 可旋转键数：
  9.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  59.73
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  3-(4-氯苯基)-2-羟基-丙烯酸 在 sodium acetate 、 potassium carbonate 、 溶剂黄146 作用下， 以 水 、 丙酮 为溶剂， 生成 6-(4-chlorobenzyl)-3-(4-[(2-diethylamino)ethoxy]phenyl)-7H-thiazolo[3,2-b]-1,2,4-triazin-7-one
  参考文献：
  名称：

  Design, Synthesis, and Biological Evaluation of 7H-Thiazolo[3,2-b]-1,2,4-triazin-7-one Derivatives as Dual Binding Site Acetylcholinesterase Inhibitors

  摘要：

  A series of 7H-thiazolo[3,2-b]-1,2,4-triazin-7-one derivatives were designed, synthesized and evaluated as dual binding site acetylcholinesterase inhibitors. The target compounds exhibited promising inhibitory activity for AChE. The structure-activity relationships were discussed and their binding conformation and simultaneous interactions mode were further clarified by the molecular docking studies.

  DOI：

  10.3987/com-18-12820

文献信息

• Design, Synthesis, and Biological Evaluation of 7H-Thiazolo[3,2-b]-1,2,4-triazin-7-one Derivatives as Dual Binding Site Acetylcholinesterase Inhibitors
  作者：Chun Hu、Si-Jie Liu、Li-Bo Cui、Hiu-Lan Xu、Tie-Ying Wang、Shuo Li、Huang-Quan Lin、Daivd Chicheong Wan

  DOI：10.3987/com-18-12820

  日期：——

  A series of 7H-thiazolo[3,2-b]-1,2,4-triazin-7-one derivatives were designed, synthesized and evaluated as dual binding site acetylcholinesterase inhibitors. The target compounds exhibited promising inhibitory activity for AChE. The structure-activity relationships were discussed and their binding conformation and simultaneous interactions mode were further clarified by the molecular docking studies.