(1R,2S,6R,7S)-4-(3-Trifluoromethyl-phenyl)-4-aza-tricyclo[5.2.1.0^2,6]dec-8-ene-3,5-dione

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: (1R,2S,6R,7S)-4-(3-Trifluoromethyl-phenyl)-4-aza-tricyclo[5.2.1.0^2,6]dec-8-ene-3,5-dione
• 英文别名: (1S,2R,6S,7R)-4-[3-(trifluoromethyl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
• 化学式: C₁₆H₁₂F₃NO₂
• 分子量: 307.272
• InChiKey: BYXMVCRHLWBFFG-KGOITJQVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  22
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  37.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (1R,2S,6R,7S)-4-(3-Trifluoromethyl-phenyl)-4-aza-tricyclo[5.2.1.0^2,6]dec-8-ene-3,5-dione 在 palladium on activated charcoal 氢气 作用下， 生成 (1S,2S,6R,7R)-4-(3-Trifluoromethyl-phenyl)-4-aza-tricyclo[5.2.1.0^2,6]decane-3,5-dione
  参考文献：
  名称：

  Identification of a novel class of androgen receptor antagonists based on the bicyclic-1H-isoindole-1,3(2H)-dione nucleus

  摘要：

  A novel series of isoindoledione based compounds were identified as potent antagonists of the androgen receptor (AR). SAR around this series revealed dramatic differences in binding and function in mutant variants (MT) of the AR as compared to the wild type (WT) receptor. Optimization of the aniline portion revealed substitution patterns, which yielded potent antagonist activity against the WT AR as well as the MT AR found in the LNCaP and PCa2b human prostate tumor cell lines. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.10.051

文献信息

• Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function
  申请人：——

  公开号：US20040087548A1

  公开（公告）日：2004-05-06

  Fused cyclic compounds, methods of using such compounds in the treatment of nuclear hormone receptor-associated conditions such as cancer and immune disorders, and pharmaceutical compositions containing such compounds.

  融合的环状化合物，使用这种化合物治疗与核激素受体相关的疾病，如癌症和免疫紊乱的方法，以及包含这种化合物的制药组合物。
• US7655688B2
  申请人：——

  公开号：US7655688B2

  公开（公告）日：2010-02-02