(8S,11S,13S,14S,17S)-11-(2,6-difluoro-4-methoxy-phenyl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-cyclopenta[a]phenanthren-3-one | 918823-83-3

• 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: (8S,11S,13S,14S,17S)-11-(2,6-difluoro-4-methoxy-phenyl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-cyclopenta[a]phenanthren-3-one
• 英文别名: (8S,11S,13S,14S,17S)-11-(2,6-difluoro-4-methoxyphenyl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
• CAS: 918823-83-3
• 化学式: C₂₈H₃₀F₂O₃
• 分子量: 452.541
• InChiKey: LGNCUBQBADONFN-RGBSCXFJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  33
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  在 盐酸 作用下， 以 四氢呋喃 为溶剂， 反应 0.08h， 生成 (8S,11S,13S,14S,17S)-11-(2,6-difluoro-4-methoxy-phenyl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-cyclopenta[a]phenanthren-3-one
  参考文献：
  名称：

  Synthesis and activity of novel bile-acid conjugated glucocorticoid receptor antagonists

  摘要：

  A series of potent steroidal glucocorticoid receptor antagonists has been discovered. After conjugation to cholic acid, the compounds retained an affinity for GR in vitro and had modest in vivo efficacy.

  DOI：

  10.1016/j.bmcl.2006.08.133

文献信息

• [EN] INHIBITORS OF GLUCOCORTICOID RECEPTOR<br/>[FR] INHIBITEURS DE RÉCEPTEURS GLUCOCORTICOÏDES
  申请人：ORIC PHARMACEUTICALS INC

  公开号：WO2017112904A1

  公开（公告）日：2017-06-29

  The present invention relates generally to compositions and methods for treating cancer and hypercortisolism. Provided herein are substituted steroidal derivative compounds and pharmaceutical compositions comprising said compounds. The subject compounds and compositions are useful for inhibition of glucocorticoid receptors. Furthermore, the subject compounds and compositions are useful for the treatment of cancer and hypercortisolism.

  本发明一般涉及治疗癌症和高皮质醇血症的组合物和方法。本文提供了替代类固醇衍生物化合物和包含该化合物的药物组合物。所述化合物和组合物对于抑制糖皮质激素受体是有用的。此外，所述化合物和组合物对于治疗癌症和高皮质醇血症是有用的。
• Inhibitors of glucocorticoid receptor
  申请人：ORIC Pharmaceuticals, Inc.

  公开号：US11110103B2

  公开（公告）日：2021-09-07

  The present invention relates generally to compositions and methods for treating cancer and hypercortisolism. Provided herein are substituted steroidal derivative compounds and pharmaceutical compositions comprising said compounds. The subject compounds and compositions are useful for inhibition of glucocorticoid receptors. Furthermore, the subject compounds and compositions are useful for the treatment of cancer and hypercortisolism.

  本发明一般涉及治疗癌症和皮质醇过多症的组合物和方法。本发明提供了取代的类固醇衍生物化合物和包含所述化合物的药物组合物。所述化合物和组合物可用于抑制糖皮质激素受体。此外，所述化合物和组合物还可用于治疗癌症和皮质醇过多症。
• INHIBITORS OF GLUCOCORTICOID RECEPTOR
  申请人：ORIC Pharmaceuticals, Inc.

  公开号：US20210023095A1

  公开（公告）日：2021-01-28

  The present invention relates generally to compositions and methods for treating cancer and hypercortisolism. Provided herein are substituted steroidal derivative compounds and pharmaceutical compositions comprising said compounds. The subject compounds and compositions are useful for inhibition of glucocorticoid receptors. Furthermore, the subject compounds and compositions are useful for the treatment of cancer and hypercortisolism.