1-[4-((5R,8S,11R,13S,14S,17S)-5,17-dihydroxy-17-pentafluoroethyl-5',5',13-trimethyl-1,2,3,4,6,7,8,11,12,13,14,15,16,17-tetradecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxan]-11-yl)benzyl]-3-(4-chlorophenyl)urea | 1262049-63-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 1-[4-((5R,8S,11R,13S,14S,17S)-5,17-dihydroxy-17-pentafluoroethyl-5',5',13-trimethyl-1,2,3,4,6,7,8,11,12,13,14,15,16,17-tetradecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxan]-11-yl)benzyl]-3-(4-chlorophenyl)urea
• 英文别名: 1-(4-chlorophenyl)-3-[[4-[(5'R,8'S,11'R,13'S,14'S,17'S)-5',17'-dihydroxy-5,5,13'-trimethyl-17'-(1,1,2,2,2-pentafluoroethyl)spiro[1,3-dioxane-2,3'-2,4,6,7,8,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene]-11'-yl]phenyl]methyl]urea
• CAS: 1262049-63-7
• 化学式: C₃₉H₄₆ClF₅N₂O₅
• 分子量: 753.25
• InChiKey: CUQYUHVDIQALTG-QJHMWYDSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  52
• 可旋转键数：
  5
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  100
• 氢给体数：
  4
• 氢受体数：
  10

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。
• US9206219B2
  申请人：——

  公开号：US9206219B2

  公开（公告）日：2015-12-08