DHEA-3-yl hexa-2,4-dienoate | 1372939-54-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: DHEA-3-yl hexa-2,4-dienoate
• 英文别名: [(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] (2E,4E)-hexa-2,4-dienoate
• CAS: 1372939-54-2
• 化学式: C₂₅H₃₄O₃
• 分子量: 382.543
• InChiKey: SFMRBQHIXIXHAP-HNONZOBESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  山梨酸 、 去氢表雄酮 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 、 potassium iodide 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 以52%的产率得到DHEA-3-yl hexa-2,4-dienoate
  参考文献：
  名称：

  Synthesis and Antitumor Activity of Dehydroepiandrosterone Derivatives on Es-2, A549, and HepG2 Cells in vitro

  摘要：

  A series of dehydroepiandrosterone derivatives containing an acid ester was synthesized and evaluated for their antitumor activity on ES‐2, A549, and HepG2 cells by the MTT assay. Most compounds showed antitumor activity, while compounds 1c, 2i, and 2o exhibited more potential inhibitory effects compared with dehydroepiandrosterone on ES‐2 cells, A549 cells, and HepG2 cells, respectively.

  DOI：

  10.1111/j.1747-0285.2011.01311.x

文献信息

• Synthesis and Antitumor Activity of Dehydroepiandrosterone Derivatives on Es-2, A549, and HepG2 Cells in vitro
  作者：Xue-Kun Liu、Bai-Jun Ye、Yan Wu、Ji-Xing Nan、Zhen-Hua Lin、Hu-Ri Piao

  DOI：10.1111/j.1747-0285.2011.01311.x

  日期：2012.4

  A series of dehydroepiandrosterone derivatives containing an acid ester was synthesized and evaluated for their antitumor activity on ES‐2, A549, and HepG2 cells by the MTT assay. Most compounds showed antitumor activity, while compounds 1c, 2i, and 2o exhibited more potential inhibitory effects compared with dehydroepiandrosterone on ES‐2 cells, A549 cells, and HepG2 cells, respectively.