3-(3-{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)phenyl]prop-2-ynyl}ureido)propionic acid ethyl ester | 1262016-75-0

• 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: 3-(3-{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)phenyl]prop-2-ynyl}ureido)propionic acid ethyl ester
• 英文别名: ethyl 3-[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]prop-2-ynylcarbamoylamino]propanoate
• CAS: 1262016-75-0
• 化学式: C₃₅H₃₉F₅N₂O₅
• 分子量: 662.697
• InChiKey: HUADSJFLGUCSML-SBMMGGBVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  47
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  105
• 氢给体数：
  3
• 氢受体数：
  10

文献信息

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

  公开号：US20120190660A1

  公开（公告）日：2012-07-26

  The invention relates to 17-hydroxy-17-pentafluoroethylestra-4,9(10)-diene 11-ethynylphenyl derivatives of the formula I, in which R 1 and X are each as defined in the claims and the description, and to a process for preparation thereof and to the use thereof as medicaments.

  该发明涉及式I中的17-羟基-17-五氟乙基雌二烯-4,9(10)-二烯-11-乙炔基苯基衍生物，其中R1和X如索赔和描述中所定义，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-ETHINYLPHENYL-DERIVATE, VERFAHREN ZU DEREN HERSTELLUNG UND DEREN VERWENDUNG ZUR BEHANDLUNG VON KRANKHEITEN
  申请人：Bayer Intellectual Property GmbH

  公开号：EP2456783B1

  公开（公告）日：2015-08-19
• US9102701B2
  申请人：——

  公开号：US9102701B2

  公开（公告）日：2015-08-11