(7R,11S)-7,11-bis(4-hydroxyphenyl)-3,3-dimethyl-2,4-dioxaspiro[5.5]undecane-1,5,9-trione | 1190770-79-6

• 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: (7R,11S)-7,11-bis(4-hydroxyphenyl)-3,3-dimethyl-2,4-dioxaspiro[5.5]undecane-1,5,9-trione
• CAS: 1190770-79-6
• 化学式: C₂₃H₂₂O₇
• 分子量: 410.423
• InChiKey: INWUMRUEAJNNEV-KDURUIRLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  30
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  110
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  丙二酸环(亚)异丙酯 、 (3E)-4-(4-羟基苯基)-3-丁烯-2-酮 、 对羟基苯甲醛 在 (L)-5,5-dimethylthiazolidinium-4-carboxylate 作用下， 以 甲醇 为溶剂， 反应 73.0h， 以56%的产率得到(7R,11S)-7,11-bis(4-hydroxyphenyl)-3,3-dimethyl-2,4-dioxaspiro[5.5]undecane-1,5,9-trione
  参考文献：
  名称：

  Identification of Biphenyl-Based Hybrid Molecules Able To Decrease the Intracellular Level of Bcl-2 Protein in Bcl-2 Overexpressing Leukemia Cells

  摘要：

  With the aim of enhancing the structural complexity and diversity of an existing collection of bi- and terphenyl compounds, we synthesized hybrid molecules comprising of spirocyclic ketones (a complexity-bearing core) and bi/terphenyls (privileged fragments). Compounds 1, 3, 4, and 6 showed well-defined activity on apoptosis and differentiation, making them potential leads for development as new anticancer agents and chemical probes to study signaling networks in neoplastic cells.

  DOI：

  10.1021/jm900907s