2-[2-(4-benzyloxy-3-methoxybenzoyl)oxyethyl-(2-hydroxyethyl)amino]ethyl-4-benzyloxy-3-methoxybenzoate | 1254210-77-9

• 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-(4-benzyloxy-3-methoxybenzoyl)oxyethyl-(2-hydroxyethyl)amino]ethyl-4-benzyloxy-3-methoxybenzoate
• CAS: 1254210-77-9
• 化学式: C₃₆H₃₉NO₉
• 分子量: 629.707
• InChiKey: SJGYLZQYOLUEOV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.17
• 重原子数：
  46.0
• 可旋转键数：
  18.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  112.99
• 氢给体数：
  1.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  2-[2-(4-benzyloxy-3-methoxybenzoyl)oxyethyl-(2-hydroxyethyl)amino]ethyl-4-benzyloxy-3-methoxybenzoate 在 palladium 10% on activated carbon 、 氢气 作用下， 以 甲醇 为溶剂， 以90%的产率得到2-[2-hydroxyethyl-[2-(4-hydroxy-3-methoxybenzoyl)oxyethyl]amino]ethyl-4-hydroxy-3-methoxybenzoate
  参考文献：
  名称：

  Simple di- and trivanillates exhibit cytostatic properties toward cancer cells resistant to pro-apoptotic stimuli

  摘要：

  A series of 33 novel divanillates and trivanillates were synthesized and found to possess promising cytostatic rather than cytotoxic properties. Several compounds under study decreased by >50% the activity of Aurora A, B, and C, and WEE1 kinase activity at concentrations <10% of their IC50 growth inhibitory ones, accounting, at least partly, for their cytostatic effects in cancer cells and to a lesser extent in normal cells. Compounds 6b and 13c represent interesting starting points for the development of cytostatic agents to combat cancers, which are naturally resistant to pro-apoptotic stimuli, including metastatic malignancies. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2010.04.047
• 作为产物：
  描述：

  三乙醇胺 、 4-苄氧基-3-甲氧基苯甲酸 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 甲苯 为溶剂， 以6%的产率得到2-[2-(4-benzyloxy-3-methoxybenzoyl)oxyethyl-(2-hydroxyethyl)amino]ethyl-4-benzyloxy-3-methoxybenzoate
  参考文献：
  名称：

  Simple di- and trivanillates exhibit cytostatic properties toward cancer cells resistant to pro-apoptotic stimuli

  摘要：

  A series of 33 novel divanillates and trivanillates were synthesized and found to possess promising cytostatic rather than cytotoxic properties. Several compounds under study decreased by >50% the activity of Aurora A, B, and C, and WEE1 kinase activity at concentrations <10% of their IC50 growth inhibitory ones, accounting, at least partly, for their cytostatic effects in cancer cells and to a lesser extent in normal cells. Compounds 6b and 13c represent interesting starting points for the development of cytostatic agents to combat cancers, which are naturally resistant to pro-apoptotic stimuli, including metastatic malignancies. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2010.04.047