2-[2-hydroxyethyl-[2-(4-hydroxy-3-methoxybenzoyl)oxyethyl]amino]ethyl-4-hydroxy-3-methoxybenzoate | 1234570-00-3

• 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-hydroxyethyl-[2-(4-hydroxy-3-methoxybenzoyl)oxyethyl]amino]ethyl-4-hydroxy-3-methoxybenzoate
• 英文别名: 2-[2-Hydroxyethyl-[2-(4-hydroxy-3-methoxybenzoyl)oxyethyl]amino]ethyl 4-hydroxy-3-methoxybenzoate
• CAS: 1234570-00-3
• 化学式: C₂₂H₂₇NO₉
• 分子量: 449.458
• InChiKey: OHSOVUFHTPAMJI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  32
• 可旋转键数：
  14
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  135
• 氢给体数：
  3
• 氢受体数：
  10

反应信息

• 作为产物：
  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