| 63023-66-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• CAS: 63023-66-5
• 化学式: C₂₀H₂₄O₇
• 分子量: 376.406
• InChiKey: XJGZKTJYJMFXIJ-JFIVVQJRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.09
• 重原子数：
  27.0
• 可旋转键数：
  1.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  113.29
• 氢给体数：
  3.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  在 草酰氯 、 二甲基亚砜 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以85%的产率得到13-chloro-3,15-dioxogibberellic acid methyl ester
  参考文献：
  名称：

  Synthesis of gibberellin derivatives with anti-tumor bioactivities

  摘要：

  A series of gibberellin based molecules were designed and synthesized. Gibberellin derivatives bearing two alpha,beta-unsaturated ketone units showed strong anticancer activities in MTT assay towards a number of human cancer cell lines including HT29, A549, HepG2 and MKN28. The most potent gibberellin derivative (compound 10, IC50 = 2.9 mu M against HT29) inhibited completely the topoisomerase I activity at 8 mu g/ml. level. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.07.090
• 作为产物：
  描述：

  赤霉素A3甲酯 在 叔丁基过氧化氢 、 selenium(IV) oxide 作用下， 以 二氯甲烷 为溶剂， 以89%的产率得到
  参考文献：
  名称：

  Synthesis of gibberellin derivatives with anti-tumor bioactivities

  摘要：

  A series of gibberellin based molecules were designed and synthesized. Gibberellin derivatives bearing two alpha,beta-unsaturated ketone units showed strong anticancer activities in MTT assay towards a number of human cancer cell lines including HT29, A549, HepG2 and MKN28. The most potent gibberellin derivative (compound 10, IC50 = 2.9 mu M against HT29) inhibited completely the topoisomerase I activity at 8 mu g/ml. level. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.07.090