(8S,11R,13S,14S,17S)-17-hydroxy-13-methyl-17-prop-1-ynyl-11-(3,4,5-trimethoxy-phenyl)-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-cyclopenta[a]phenanthren-3-one | 918823-86-6

• 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,11R,13S,14S,17S)-17-hydroxy-13-methyl-17-prop-1-ynyl-11-(3,4,5-trimethoxy-phenyl)-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-cyclopenta[a]phenanthren-3-one
• 英文别名: (8S,11R,13S,14S,17S)-17-hydroxy-13-methyl-17-prop-1-ynyl-11-(3,4,5-trimethoxyphenyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
• CAS: 918823-86-6
• 化学式: C₃₀H₃₆O₅
• 分子量: 476.613
• InChiKey: BGFDDYFXQASQNH-QDFBQLGHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  35
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  65
• 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,11R,13S,14S,17S)-17-hydroxy-13-methyl-17-prop-1-ynyl-11-(3,4,5-trimethoxy-phenyl)-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] GLUCOCORTICOID INHIBITORS FOR TREATMENT OF PROSTATE CANCER<br/>[FR] INHIBITEURS DE GLUCOCORTICOÏDES POUR LE TRAITEMENT DU CANCER DE LA PROSTATE
  申请人：SLOAN KETTERING INST CANCER

  公开号：WO2015089338A9

  公开（公告）日：2015-08-20
• GLUCOCORTICOID INHIBITORS FOR TREATMENT OF PROSTATE CANCER
  申请人：Sloan-Kettering Institute for Cancer Research

  公开号：US20160289261A1

  公开（公告）日：2016-10-06

  The present invention encompasses the recognition that reproducible and detectable changes in the level and or activity of Glucocorticoid Receptor (GR) are associated with incidence and/or risk of Castration Resistant Prostate Cancer (CRPC) and/or doubly resistant prostate cancer, specifically in individuals having prostate cancer and on antiandrogen therapy, and provides for the use of GR inhibitors to treat and/or reduce risk of CRPC and/or doubly resistant prostate cancer. In some embodiments, GR inhibitors also have Androgen Receptor (AR) inhibitory activity or are administered in conjunction with AR inhibitors. The present invention also provides technologies for identification and/or characterization of agents to treat and/or reduce risk of CRPC and/or doubly resistant prostate cancer; in some embodiments such agents alter level and/or activity of a GR. In some embodiments, provided agents show effects on a GR's activity of regulating transcription of one or more target genes. The present invention also provides systems for using such agents, for example to treat and/or reduce risk of CRPC and/or doubly resistant prostate cancer.