rac-4-((1R,2R,6R,7S,9R)-9-azido-3,3-dioxido-10-oxa-3-thia-4-azatricyclo[5.2.1.02,6]dec-4-yl)-2-(trifluoromethyl)benzonitrile

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: rac-4-((1R,2R,6R,7S,9R)-9-azido-3,3-dioxido-10-oxa-3-thia-4-azatricyclo[5.2.1.02,6]dec-4-yl)-2-(trifluoromethyl)benzonitrile
• 英文别名: 4-[(1R,2R,6R,7S,9R)-9-azido-3,3-dioxo-10-oxa-3λ6-thia-4-azatricyclo[5.2.1.02,6]decan-4-yl]-2-(trifluoromethyl)benzonitrile
• 化学式: C15H12F3N5O3S
• 分子量: 399.3
• InChiKey: FUJSEXAAKJKDSA-RGCYKPLRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  27
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  93.1
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  rac-4-((1R,2R,6R,7S,9R)-9-azido-3,3-dioxido-10-oxa-3-thia-4-azatricyclo[5.2.1.02,6]dec-4-yl)-2-(trifluoromethyl)benzonitrile 、 三苯基膦 以 四氢呋喃 、 水 为溶剂， 反应 2.0h， 以to give a mixture of Examples 25i的产率得到rac-4-((1R,2R,6R,7S,9R)-9-amino-3,3-dioxido-10-oxa-3-thia-4-azatricyclo[5.2.1.02,6]dec-4-yl)-2-(trifluoromethyl)benzonitrile
  参考文献：
  名称：

  FUSED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION

  摘要：

  本发明涉及公式（I）的融合杂环化合物，或其药学上可接受的盐或立体异构体。还公开了使用这些化合物治疗至少一种雄激素受体相关疾病的方法，例如癌症，以及包含这些化合物的制药组合物。

  公开号：

  US20100256180A1

文献信息

• SUBSTITUTED ISOXAZOLES
  申请人：Buettelmann Bernd

  公开号：US20100256127A1

  公开（公告）日：2010-10-07

  The present invention is concerned with novel hydroxy-methyl isoxazole derivatives of formula I wherein R 1 , R 2 and R 3 are as described herein, as well as pharmaceutically acceptable salts and esters thereof. The active compounds of the present invention have affinity and selectivity for GABA A α5 receptor. Further the present invention is concerned with the manufacture of the active compounds of formula I, pharmaceutical compositions containing them and their use as pharmaceuticals.

  本发明涉及一种新型的羟甲基异噁唑衍生物，其化学式为I，其中R1、R2和R3如本文所述，以及其药学上可接受的盐和酯。本发明的活性化合物具有对GABA A α5受体的亲和力和选择性。此外，本发明涉及制备化学式I的活性化合物、含有它们的药物组合物以及它们作为药物的用途。
• Fused heterocyclic compounds useful as modulators of nuclear hormone receptor function
  申请人：Shan Weifang

  公开号：US08466171B2

  公开（公告）日：2013-06-18

  Disclosed are fused heterocyclic compounds of Formula (I): or pharmaceutically-acceptable salts or stereoisomers thereof. Also disclosed are methods of using such compounds in the treatment of at least one androgen receptor-associated condition, such as, for example, cancer, and pharmaceutical compositions comprising such compounds.

  本发明涉及式(I)的融合杂环化合物，或其药学上可接受的盐或立体异构体。本发明还涉及使用这些化合物治疗至少一种雄激素受体相关疾病的方法，例如癌症，并且涉及包含这些化合物的药物组合物。
• Hydroxy-methyl isoxazole derivatives as gaba a modulators
  申请人：F.Hoffmann-La Roche AG

  公开号：EP2414354B1

  公开（公告）日：2012-12-12
• METHODS AND COMPOSITIONS FOR TREATING A SUBJECT FOR CENTRAL NERVOUS SYSTEM (CNS) INJURY
  申请人：Carmichael Stanley T.

  公开号：US20130150351A1

  公开（公告）日：2013-06-13

  Methods for treating a central nervous system (CNS) injury in a subject are provided. As of the methods include administering to the subject an effective amount of gamma aminobutyric acid (GABA) receptor signaling inhibitor to treat the subject for the CNS injury. Also provided are compositions useful in embodiments of the methods. Methods and compositions of the invention find use in the treatment of a variety of different CNS injuries, including but not limited to, treating a subject for CNS injury associated with the occurrence of stroke.
• US8222246B2
  申请人：——

  公开号：US8222246B2

  公开（公告）日：2012-07-17