[(1S,2S)-2-(4-hydroxy-3-methoxybenzoyl)oxycyclohexyl]-4-hydroxy-3-methoxybenzoate | 1222380-58-6

• 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: [(1S,2S)-2-(4-hydroxy-3-methoxybenzoyl)oxycyclohexyl]-4-hydroxy-3-methoxybenzoate
• 英文别名: trans-S,S-1,2-cyclohexanediyl bis(4-hydroxy-3-methoxybenzoate)；[(1S,2S)-2-(4-hydroxy-3-methoxybenzoyl)oxycyclohexyl] 4-hydroxy-3-methoxybenzoate
• CAS: 1222380-58-6
• 化学式: C₂₂H₂₄O₈
• 分子量: 416.428
• InChiKey: CJJVDYUOTKHCBA-ROUUACIJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  112
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  在 ammonium hydroxide 作用下， 以 四氢呋喃 为溶剂， 反应 1.67h， 以38%的产率得到[(1S,2S)-2-(4-hydroxy-3-methoxybenzoyl)oxycyclohexyl]-4-hydroxy-3-methoxybenzoate
  参考文献：
  名称：

  [EN] DI-VANILLOYL AND TRI-VANILLOYL DERIVATIVES FOR USE IN ANTI-CANCER THERAPY
  [FR] DÉRIVÉS DE DI-VANILLOYLE ET DE TRI-VANILLOYLE POUR UNE UTILISATION DANS UNE THÉRAPIE ANTI-CANCÉREUSE

  摘要：

  这项发明涉及医学领域，更准确地说是在抗癌治疗和治疗阿尔茨海默病、帕金森病或皮克氏病，或改善唐氏综合征症状方面，提供新合成的多香豆酰衍生物化合物及其在治疗上述疾病中的用途。

  公开号：

  WO2010043631A1

文献信息

• Di-Vanilloyl And Tri-Vanilloyl Derivatives For Use In Anti-Cancer Therapy
  申请人：Kiss Robert

  公开号：US20110280940A1

  公开（公告）日：2011-11-17

  The invention relates to the medical field, more precisely in the field of anti-cancer treatment and treatment of Alzheimer's disease, Parkinson's disease or Pick's disease or for ameliorating symptoms of Down syndrome, providing newly synthesised multi-vanilloyl derivative compounds and their use in the treatment of said disorders.

  该发明涉及医学领域，更精确地说是抗癌治疗和治疗阿尔茨海默病、帕金森病或皮克氏病或改善唐氏综合症症状的领域，提供新合成的多香豆酰衍生物化合物及其在治疗上述疾病中的应用。
• Simple di- and trivanillates exhibit cytostatic properties toward cancer cells resistant to pro-apoptotic stimuli
  作者：Delphine Lamoral-Theys、Laurent Pottier、Frédéric Kerff、François Dufrasne、Fabien Proutière、Nathalie Wauthoz、Philippe Neven、Laurent Ingrassia、Pierre Van Antwerpen、Florence Lefranc

  DOI：10.1016/j.bmc.2010.04.047

  日期：2010.6.1

  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.
• DI-VANILLOYL AND TRI-VANILLOYL DERIVATIVES FOR USE IN ANTI-CANCER THERAPY
  申请人：Université Libre de Bruxelles

  公开号：EP2367545A1

  公开（公告）日：2011-09-28