11β-[4-[(1S)-1,2-dihydroxyethyl]phenyl]-20,20,21,21,21-pentafluoro-17-hydroxy-19-nor-17α-pregna-4,9-dien-3-one | 1026668-56-3

• 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: 11β-[4-[(1S)-1,2-dihydroxyethyl]phenyl]-20,20,21,21,21-pentafluoro-17-hydroxy-19-nor-17α-pregna-4,9-dien-3-one
• 英文别名: (8S,11R,13S,14S,17S)-11-[4-[(1S)-1,2-dihydroxyethyl]phenyl]-17-hydroxy-13-methyl-17-(1,1,2,2,2-pentafluoroethyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
• CAS: 1026668-56-3
• 化学式: C₂₈H₃₁F₅O₄
• 分子量: 526.544
• InChiKey: COWRHHXPIJIBNN-PWHFEESISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  37
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  77.8
• 氢给体数：
  3
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  11β-[4-(1,2-dihydroxyethyl)phenyl]-20,20,21,21,21-pentafluoro-5,17-dihydroxy-19-nor-5α,17α-pregn-9-en-3-one 2,2-dimethylpropane-1,3-diyl ketal 在 硫酸 作用下， 以 甲醇 、 水 为溶剂， 反应 1.0h， 生成 11β-[4-[(1S)-1,2-dihydroxyethyl]phenyl]-20,20,21,21,21-pentafluoro-17-hydroxy-19-nor-17α-pregna-4,9-dien-3-one 、 11β-[4-[(1R)-1,2-dihydroxyethyl]phenyl]-20,20,21,21,21-pentafluoro-17-hydroxy-19-nor-17α-pregna-4,9-dien-3-one
  参考文献：
  名称：

  WO2008/58767

  摘要：

  公开号：

文献信息

• ORGANIC COMPOUNDS
  申请人：ANG Shi Hua

  公开号：US20090275560A1

  公开（公告）日：2009-11-05

  The invention relates to organic compounds which have interesting pharmaceutical properties. In particular, the compounds are useful in the treatment and/or prevention of infections such as those caused by Plasmodium falciparum, Plasmodium vivax, Plasmodium malariae, Plasmodium ovale, Trypanosoma cruzi and parasites of the Leishmania genus such as, for example, Leishmania donovani . The invention also relates to pharmaceutical compositions containing the compounds, as well as processes for their preparation.

  这项发明涉及具有有趣药理特性的有机化合物。具体来说，这些化合物在治疗和/或预防由疟原虫、间日疟原虫、疟原虫、卵形疟原虫、克氏锥虫等引起的感染方面具有用途，以及像唐氏锥虫属的寄生虫，例如唐氏锥虫等。该发明还涉及含有这些化合物的药物组合物，以及它们的制备方法。
• Progesterone receptor antagonists
  申请人：Fuhrmann Ulrike

  公开号：US20080200440A1

  公开（公告）日：2008-08-21

  The present invention relates to progesterone receptor antagonists of general formula I: in which R1 can be a hydrogen atom and R2 a hydroxyl group or R1 and R2 together can be an oxo group.

  本发明涉及一般式I的孕激素受体拮抗剂： 其中R1可以是氢原子，R2可以是羟基或者R1和R2可以一起是氧代基。
• Spiro-indole derivatives for the treatment of parasitic diseases.
  申请人：Novartis AG

  公开号：EP2722333A1

  公开（公告）日：2014-04-23

  The invention relates to organic compounds which have interesting pharmaceutical properties. In particular, the compounds are useful in the treatment and/or prevention of infections such as those caused by Plasmodium falciparum, Plasmodium vivax, Plasmodium malariae, Plasmodium ovale, Trypanosoma cruzi and parasites of the Leishmania genus such as, for example, Leishmania donovani. The invention also relates to pharmaceutical compositions containing the compounds, as well as processes for their preparation.

  本发明涉及具有有趣药用特性的有机化合物。特别是，这些化合物可用于治疗和/或预防感染，如恶性疟原虫、间日疟原虫、疟疾疟原虫、卵形疟原虫、克鲁斯锥虫和利什曼属寄生虫（如唐氏利什曼原虫）引起的感染。本发明还涉及含有这些化合物的药物组合物及其制备工艺。
• PROGESTERONE RECEPTOR ANTAGONISTS
  申请人：Bayer Schering Pharma Aktiengesellschaft

  公开号：EP2081951B1

  公开（公告）日：2010-04-21
• SPIRO-INDOLE DERIVATIVES FOR THE TREATMENT OF PARASITIC DISEASES
  申请人：Novartis AG

  公开号：EP2285808B1

  公开（公告）日：2013-11-20