2-(2-(2-(4-chloro-2-((2-chloro-4-nitrophenyl)carbamoyl)phenoxy)ethoxy)ethoxy)ethyl 4-methylbenzenesulfonate | 1257654-44-6

• 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: 2-(2-(2-(4-chloro-2-((2-chloro-4-nitrophenyl)carbamoyl)phenoxy)ethoxy)ethoxy)ethyl 4-methylbenzenesulfonate
• CAS: 1257654-44-6
• 化学式: C₂₆H₂₆Cl₂N₂O₉S
• 分子量: 613.472
• InChiKey: MDAYOGJCNXJKEF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.28
• 重原子数：
  40.0
• 可旋转键数：
  15.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  143.3
• 氢给体数：
  1.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  6-(6-吗啉代-1,3-二氧代-1H-苯并[DE]异喹啉-2(3H)-基)己酸 、 2-(2-(2-(4-chloro-2-((2-chloro-4-nitrophenyl)carbamoyl)phenoxy)ethoxy)ethoxy)ethyl 4-methylbenzenesulfonate 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 24.0h， 以57%的产率得到2-(2-(2-(4-chloro-2-((2-chloro-4-nitrophenyl)carbamoyl)phenoxy)ethoxy)ethoxy)ethyl 6-(6-morpholino-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)hexanoate
  参考文献：
  名称：

  Novel derivatives of niclosamide synthesis: Its bioactivity and interaction with Schistosoma japonicum cercariae

  摘要：

  Two novel niclosamide derivatives were synthesized by adding polyethylene glycol groups of differing lengths to a niclosamide core The modified niclosamide derivatives were characterized using H-1 NMR and HRMS spectra Anti-cercarial bioactivity results showed that the niclosamide derivative constructed to float on the surface of the water was able to kill cercariae when the number of hydrophilic groups was >3 A fluorescent niclosamide derivative containing naphthalimide was further synthesized to observe the interaction between the cercaricide and Schistosoma japonicum cercariae Confocal fluorescence microscopy revealed that the fluorescent niclosamide derivative could easily penetrate into the cercarial body beyond the circulatory system leading to the rapid death of cercariae (C). 2010 Elsevier Ltd All rights reserved

  DOI：

  10.1016/j.dyepig.2010.08.002
• 作为产物：
  描述：

  三乙二醇单对甲苯磺酸酯 在 四丁基溴化铵 、 potassium carbonate 、 三乙胺 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 16.0h， 生成 2-(2-(2-(4-chloro-2-((2-chloro-4-nitrophenyl)carbamoyl)phenoxy)ethoxy)ethoxy)ethyl 4-methylbenzenesulfonate
  参考文献：
  名称：

  Novel derivatives of niclosamide synthesis: Its bioactivity and interaction with Schistosoma japonicum cercariae

  摘要：

  Two novel niclosamide derivatives were synthesized by adding polyethylene glycol groups of differing lengths to a niclosamide core The modified niclosamide derivatives were characterized using H-1 NMR and HRMS spectra Anti-cercarial bioactivity results showed that the niclosamide derivative constructed to float on the surface of the water was able to kill cercariae when the number of hydrophilic groups was >3 A fluorescent niclosamide derivative containing naphthalimide was further synthesized to observe the interaction between the cercaricide and Schistosoma japonicum cercariae Confocal fluorescence microscopy revealed that the fluorescent niclosamide derivative could easily penetrate into the cercarial body beyond the circulatory system leading to the rapid death of cercariae (C). 2010 Elsevier Ltd All rights reserved

  DOI：

  10.1016/j.dyepig.2010.08.002