1-ethyl-3-[4-((8S,11R,13S,14S,17S)-17-hydroxy-13-methyl-3-oxo-17-pentafluoroethyl-2,3,6,7,8,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-11-yl)benzyl]urea | 1262048-82-7

• 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: 1-ethyl-3-[4-((8S,11R,13S,14S,17S)-17-hydroxy-13-methyl-3-oxo-17-pentafluoroethyl-2,3,6,7,8,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-11-yl)benzyl]urea
• 英文别名: 1-ethyl-3-[4-((8S,11R,13S,14S,17S)-17-hydroxy-13-methyl-3-oxo-17-pentafluoroethyl-2,3,6,7,8,11,12,13,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-11-yl)benzyl]urea；1-ethyl-3-[[4-[(8S,11R,13S,14S,17S)-17-hydroxy-13-methyl-3-oxo-17-(1,1,2,2,2-pentafluoroethyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]phenyl]methyl]urea
• CAS: 1262048-82-7
• 化学式: C₃₀H₃₅F₅N₂O₃
• 分子量: 566.612
• InChiKey: PYPQTQQAWAJGKU-DWFKVPPKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  40
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  78.4
• 氢给体数：
  3
• 氢受体数：
  8

文献信息

• 17-HYDROXY-17-PENTAFLUORETHYL-ESTRA-4,9(10)-DIEN-11-ARYL DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND THE USE THEREOF FOR TREATING DISEASES
  申请人：Klar Ulrich

  公开号：US20120258941A1

  公开（公告）日：2012-10-11

  The invention relates to 17-hydroxy-17-pentafluoroethylestra-4,9(10)-diene 11-aryl derivatives of the formula I with progesterone-antagonising action and to processes for preparation thereof, to use thereof for treatment and/or prophylaxis of disorders and to the use thereof for production of medicaments for treatment and/or prophylaxis of disorders, especially of fibroids of the uterus (myomas, uterine leiomyomas), endometriosis, heavy menstrual bleeds, meningiomas, hormone-dependent breast cancers and complaints associated with the menopause, or for fertility control and emergency contraception.

  该发明涉及具有孕酮拮抗作用的式I的17-羟基-17-五氟乙基雌二烯-4,9(10)-二烯-11-芳基衍生物，以及其制备方法，用于治疗和/或预防疾病的用途，以及用于制备治疗和/或预防疾病的药物，特别是用于子宫纤维瘤（子宫肌瘤、子宫平滑肌瘤）、子宫内膜异位症、月经过多、脑膜瘤、激素依赖性乳腺癌和与绝经期相关的不适症状，或用于生育控制和紧急避孕。
• 17-HYDROXY-17-PENTAFLUORETHYL-ESTRA-4,9(10)-DIEN-11-BENZYLIDENE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND USE THEREOF FOR TREATING DISEASES
  申请人：Klar Ulrich

  公开号：US20120316145A1

  公开（公告）日：2012-12-13

  The invention relates to 17-hydroxy-17-pentafluoroethylestra-4,9(10)-diene 11-benzylidene derivatives of the formula I, in which Y and X are each as defined in the claims and the description, to a process for preparation thereof and to the use thereof as medicaments.

  该发明涉及式I的17-羟基-17-五氟乙基雌二烯-4,9(10)-二烯-11-苄亚甲基衍生物，其中Y和X分别如权利要求和说明书中定义的，以及其制备方法和用作药物的用途。
• 17-HYDROXY-17-PENTAFLUORETHYL-ESTRA-4,9(10)-DIEN-11-ARYL-DERIVATE, VERFAHREN ZU IHRER HERSTELLUNG UND IHRE VERWENDUNG ZUR BEHANDLUNG VON KRANKHEITEN
  申请人：Bayer Intellectual Property GmbH

  公开号：EP2456780B1

  公开（公告）日：2017-09-20
• 17-HYDROXY-17-PENTAFLUORETHYL-ESTRA-4,9(10)-DIEN-11-BENZYLIDEN-DERIVATE, VERFAHREN ZU DEREN HERSTELLUNG UND DEREN VERWENDUNG ZUR BEHANDLUNG VON KRANKHEITEN
  申请人：Bayer Intellectual Property GmbH

  公开号：EP2456782B1

  公开（公告）日：2015-08-19
• US9156877B2
  申请人：——

  公开号：US9156877B2

  公开（公告）日：2015-10-13