| 155768-33-5

• 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
• CAS: 155768-33-5
• 化学式: C₂₄H₃₂O₄
• 分子量: 384.516
• InChiKey: UJUWRDMPEVJXSX-CETSDDCJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.67
• 重原子数：
  28.0
• 可旋转键数：
  1.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  36.92
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  在 盐酸 作用下， 以 丙酮 为溶剂， 生成 (17β)-(9CI)-4',5'-dihydrospiro[estra-5(10),9(11)-diene-17,2'(3'H)-furan]-3,3'-dione cyclic 3-(1,2-ethanediyl)acetal
  参考文献：
  名称：

  New progesterone receptor antagonists: Phosphorus-containing 11β-aryl-substituted steroids

  摘要：

  A new series of phosphorus-containing 11 beta-aryl-substituted steroids have been synthesized in an eight-step sequence involving a palladium-catalyzed coupling reaction to introduce a phosphorus group onto the aromatic ring. The compounds were evaluated for progesterone receptor (PR) antagonist activity in a T47D cell-based assay and for glucocorticoid receptor (GR) antagonist activity in an A549 cell-based assay. The structure-activity relationships of these compounds are discussed. Selected compounds were tested in vivo in a rat complement C3 assay. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2006.05.066
• 作为产物：
  描述：

  在 二环己烷并-18-冠醚-6 、 potassium tert-butylate 作用下， 以 叔丁醇 为溶剂， 生成
  参考文献：
  名称：

  New progesterone receptor antagonists: Phosphorus-containing 11β-aryl-substituted steroids

  摘要：

  A new series of phosphorus-containing 11 beta-aryl-substituted steroids have been synthesized in an eight-step sequence involving a palladium-catalyzed coupling reaction to introduce a phosphorus group onto the aromatic ring. The compounds were evaluated for progesterone receptor (PR) antagonist activity in a T47D cell-based assay and for glucocorticoid receptor (GR) antagonist activity in an A549 cell-based assay. The structure-activity relationships of these compounds are discussed. Selected compounds were tested in vivo in a rat complement C3 assay. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2006.05.066