ZK 246965 | 536975-64-1

• 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: ZK 246965
• 英文别名: 11β-fluoro-17α-methyl-7alpha-{5-[methyl(8,8,9,9,9-pentafluorononyl)amino]pentyl}estra-1,3,5(10)-triene-3,17β-diol；11β-Fluoro-7α-{5-[methyl(8,8,9,9,9-pentafluorononyl)amino]pentyl}-17α-methylestra-1,3,5(10)-triene-3,17β-diol；11β-fluoro-17α-methyl-7α-[5-[methyl(8,8,9,9,9-pentafluorononyl)amino]pentyl]oestra-1,3,5(10)-triene-3,17β-diol；(7R,8S,9S,11S,13S,14S,17S)-11-fluoro-13,17-dimethyl-7-[5-[methyl(8,8,9,9,9-pentafluorononyl)amino]pentyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
• CAS: 536975-64-1
• 化学式: C₃₄H₅₁F₆NO₂
• 分子量: 619.775
• InChiKey: YBFRQQLKUMGCDC-CUICDERCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.8
• 重原子数：
  43
• 可旋转键数：
  14
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  43.7
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  8,8,9,9,9-penta-fluorononyl tosylate 在 sodium carbonate 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 5.5h， 生成 ZK 246965
  参考文献：
  名称：

  17Beta-Alkyl-17Alpha-oxy-estratrienes

  摘要：

  本发明涉及式(I)的17β-烷基-17α-氧基-雌三烯，以及制备它们的方法，使用17β-烷基-17α-氧基-雌三烯制备药物的方法，以及包含这些化合物的药物制剂。

  公开号：

  US20120157421A1

文献信息

• NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS
  申请人：Schwede Wolfgang

  公开号：US20080188448A1

  公开（公告）日：2008-08-07

  The present invention relates to non-steroidal progesterone receptor modulators of the general formula I, the use of the progesterone receptor modulators for the manufacture of medicaments, and pharmaceutical compositions which comprise these compounds. The compounds according to the invention are suitable for the therapy and prophylaxis of gynaecological disorders such as endometriosis, leiomyomas of the uterus, dysfunctional bleeding and dysmenorrhoea, and for the therapy and prophylaxis of hormone-dependent tumours and for use for female fertility control and for hormone replacement therapy.

  本发明涉及一般式I的非甾体孕酮受体调节剂，以及利用这些孕酮受体调节剂制备药物和包含这些化合物的药物组合物。根据本发明的化合物适用于治疗和预防妇科疾病，如子宫内膜异位症、子宫平滑肌瘤、功能性出血和月经痛，以及治疗和预防激素依赖性肿瘤，用于女性生育控制和激素替代疗法。
• Non-steroidal progesterone receptor modulators
  申请人：SCHWEDE Wolfgang

  公开号：US20090270381A1

  公开（公告）日：2009-10-29

  The present invention relates to non-steroidal progesterone receptor modulators of the general formula I, the use of the progesterone receptor modulators for the manufacture of medicaments, and pharmaceutical compositions which comprise these compounds. The compounds according to the invention are suitable for the therapy and prophylaxis of gynecological disorders such as endometriosis, leiomyomas of the uterus, dysfunctional bleeding and dysmenorrhoea, and for the therapy and prophylaxis of hormone-dependent tumours and for use for female fertility control and for hormone replacement therapy.

  本发明涉及一般式I的非类固醇孕激素受体调节剂，以及利用这些孕激素受体调节剂制造药物和包含这些化合物的药物组合物。根据本发明的化合物适用于治疗和预防妇科疾病，如子宫内膜异位症、子宫平滑肌瘤、功能性出血和月经痛，并用于激素依赖性肿瘤的治疗和预防，以及用于女性生育控制和激素替代疗法。
• 17alpha-alkyl-17beta-oxy-estratrienes and intermediate products for their production, use of the 17alpha-alkyl-17beta-oxy-estratrienes for the production of pharmaceutical agents as well as pharmaceutical preparations
  申请人：Schering AG

  公开号：US20030191099A1

  公开（公告）日：2003-10-09

  The invention relates to 17&agr;-alkyl-17&bgr;-oxy-estra-1,3,5(10)-trienes that have an antiestrogenic action with general formula I. In addition, the invention also relates to 17-oxo-estra-1,3,5(10)-trienes as well as 17&bgr;-hydroxy-estra-1,3,5(10)-trienes as intermediate products in the production of the estratrienes according to the invention. The invention also relates to the use of 17&agr;-alkyl-17&bgr;-oxy-estratrienes for the production of pharmaceutical agents as well as pharmaceutical preparations that contain at least one 17&agr;-alkyl-17&bgr;-oxy-estratriene as well as at least one pharmaceutically compatible vehicle.

  本发明涉及具有抗雌激素作用的17α-烷基-17β-氧基-雌三烯-1,3,5（10）-烯的一般式I。此外，本发明还涉及17-酮基-雌三烯-1,3,5（10）-烯以及17β-羟基-雌三烯-1,3,5（10）-烯作为制备本发明的雌三烯的中间产物。本发明还涉及使用17α-烷基-17β-氧基-雌三烯-1,3,5（10）-烯制备制药剂以及包含至少一种17α-烷基-17β-氧基-雌三烯和至少一种药学兼容载体的制药制剂。
• Nonsteroidal progesterone receptor modulators
  申请人：Schmees Norbert

  公开号：US20070142464A1

  公开（公告）日：2007-06-21

  This invention relates to nonsteroidal progesterone receptor modulators of general formula I, a process for their production, the use of progesterone receptor modulators for the production of pharmaceutical agents as well as pharmaceutical compositions that contain these compounds. The compounds according to the invention are suitable for therapy and prophylaxis of gynecological diseases, such as endometriosis, leiomyomas of the uterus, dysfunctional bleeding and dysmenorrhea, as well as for the therapy and prophylaxis of hormone-dependent tumors and for use for female birth control as well as for hormone replacement therapy.

  本发明涉及通式I的非甾体孕激素受体调节剂，其生产过程，孕激素受体调节剂用于制备制药剂，以及包含这些化合物的制药组合物。根据本发明的化合物适用于治疗和预防妇科疾病，如子宫内膜异位症、子宫平滑肌瘤、功能性出血和痛经，以及治疗和预防激素依赖性肿瘤，以及用于女性避孕和激素替代治疗。
• Composition comprising antiprogestins and pure antiestrogens for prophylaxis and treatment of hormone-dependent diseases
  申请人：Bayer Schering Pharma Aktiengesellschaft

  公开号：EP1834644A2

  公开（公告）日：2007-09-19

  The present invention relates to methods and uses for preventing or treating hormone-dependent diseases, in particular breast cancer, in a mammal, by a combination of an progesterone-receptor antagonist, in particular the progesterone-receptor antagonist 11β-(4-acetylphenyl)-17β-hydroxy-17α-(1,1,2,2,2-pentafluoroethyl)-estra-4,9-dien-3-one or a pharmaceutically acceptable derivative or analogue thereof, and a pure antiestrogen, in particular a compound of general formula I as defined in the specification, for instance 11β-Fluoro-17α-methyl-7α-5-[methyl(8,8,9,9,9-pentafluorononyl)amino]pentyl}-estra-1,3,5(10)-triene-3,17β-diol. The invention further relates to pharmaceutical compositions comprising said combination.

  本发明涉及预防或治疗哺乳动物激素依赖性疾病，特别是乳腺癌的方法和用途，其方法是将孕酮受体拮抗剂，特别是孕酮受体拮抗剂11β-(4-乙酰苯基)-17β-羟基-17α-(1,1,2,2,2-五氟乙基)-雌甾-4、9-二烯-3-酮或其药学上可接受的衍生物或类似物，以及纯的抗雌激素，特别是说明书中定义的通式Ⅰ化合物，例如11β-氟-17α-甲基-7α-5-[甲基(8,8,9,9,9-五氟壬基)氨基]戊基}-雌甾-1,3,5(10)-三烯-3,17β-二醇。本发明还涉及包含上述组合物的药物组合物。