(11β,16α,17β)-17-cyclopropylcarbonyl-16-methyl-11-[4-(pyrimidin-2-yl)phenyl]estra-4,9-dien-3-one

• 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,16α,17β)-17-cyclopropylcarbonyl-16-methyl-11-[4-(pyrimidin-2-yl)phenyl]estra-4,9-dien-3-one
• 英文别名: (11beta,16alpha,17beta)-17-Cyclopropylcarbonyl-16-methyl-11-[4-(pyrimidin-2-yl)phenyl]estra-4,9-dien-3-one；(8S,11R,13S,14S,16R,17S)-17-(cyclopropanecarbonyl)-13,16-dimethyl-11-(4-pyrimidin-2-ylphenyl)-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
• 化学式: C₃₃H₃₆N₂O₂
• 分子量: 492.661
• InChiKey: BHGBZYFRMJHBJC-ILQPJJJHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  37
• 可旋转键数：
  4
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  59.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  (11β,16α,17β)-11-(4-bromophenyl)-17-cyclopropylcarbonyl-16-methylestra-4,9-dien-3-one 、 2-(三丁基锡)嘧啶 反应 4.0h， 以to give the title compound (17% yield)的产率得到(11β,16α,17β)-17-cyclopropylcarbonyl-16-methyl-11-[4-(pyrimidin-2-yl)phenyl]estra-4,9-dien-3-one
  参考文献：
  名称：

  Progesterone Receptor Modulators

  摘要：

  本发明提供了一种按照公式I的化合物，其中每个取代基的定义如规范和权利要求中所述，或其药学上可接受的盐和/或水合物形式和/或前药。

  公开号：

  US20070203105A1

文献信息

• Progesterone Receptor Modulators
  申请人：Hamersma Johannes Antonius Maria

  公开号：US20070203105A1

  公开（公告）日：2007-08-30

  The subject invention provides a compound according to Formula I, wherein each of the substituents is given the definition as set forth in the specification and claims, or a pharmaceutically acceptable salt and/or hydrate form and/or prodrug thereof.

  本发明提供了一种按照公式I的化合物，其中每个取代基的定义如规范和权利要求中所述，或其药学上可接受的盐和/或水合物形式和/或前药。
• Progesterone receptor modulators
  申请人：N.V. Organon

  公开号：US07691836B2

  公开（公告）日：2010-04-06

  The subject invention provides a compound according to Formula I, wherein each of the substituents is given the definition as set forth in the specification and claims, or a pharmaceutically acceptable salt and/or hydrate form and/or prodrug thereof.

  本发明提供了一种按照式I给出的化合物，其中每个取代基的定义如规范和权利要求所述，或其药学上可接受的盐和/或水合物形式和/或前药。
• PROGESTERONE RECEPTOR MODULATORS
  申请人：N.V. Organon

  公开号：EP1735330B1

  公开（公告）日：2007-11-28
• US7691836B2
  申请人：——

  公开号：US7691836B2

  公开（公告）日：2010-04-06
• 11-(Pyridinylphenyl)steroids—A new class of mixed-profile progesterone agonists/antagonists
  作者：Jos Rewinkel、Mark Enthoven、Irene Golstein、Marcel van der Rijst、André Scholten、Martin van Tilborg、Dirk de Weys、Jeffry Wisse、Hans Hamersma

  DOI：10.1016/j.bmc.2008.01.010

  日期：2008.3.15

  Recently, a new class (often referred to as SPRMs: selective progesterone receptor modulators) of progesterone receptor ligands with mixed agonist/antagonist properties has been described. Such compounds are envisaged, for example, as treatment for endometriosis, uterine fibroids, and leiomyomas. Existing SPRMs include Asoprisnil 1 and Uliprisnil acetate 2. In our hands, however, these compounds proved to have a predominantly or exclusively antagonistic in vitro profile, which may make this type of compound less attractive, for example, as contraceptives. We therefore aimed at a class of mixed-profile compounds that would show a more evenly balanced agonist/antagonist profile. A novel class of 11 beta-[4-(heteroaryl)phenyl]-substituted pregnanes was identified that displayed the desired balance. Contrary to known SPRMs, this novel class of MPP (mixed-profile progestagen) was found to have a truly mixed activity, including a sizeable agonist component. (C) 2008 Elsevier Ltd. All rights reserved.