4-(7a-methyl-1,3,5-trioxo-tetrahydro-imidazo[1,5-c]imidazol-2-yl)-2-trifluoromethyl-benzonitrile | 914928-60-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 英文名称: 4-(7a-methyl-1,3,5-trioxo-tetrahydro-imidazo[1,5-c]imidazol-2-yl)-2-trifluoromethyl-benzonitrile
• 英文别名: 4-(7a-Methyl-3,5,7-trioxo-1,2-dihydroimidazo[1,5-c]imidazol-6-yl)-2-(trifluoromethyl)benzonitrile
• CAS: 914928-60-2
• 化学式: C₁₄H₉F₃N₄O₃
• 分子量: 338.246
• InChiKey: NEEMHIZBKTVYCW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  24
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  93.5
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  4-(7a-methyl-1,3,5-trioxo-tetrahydro-imidazo[1,5-c]imidazol-2-yl)-2-trifluoromethyl-benzonitrile 、 碘甲烷 在 sodium hydride 作用下， 反应 2.0h， 生成 4-(6,7a-dimethyl-13,5-trioxo-tetrahydro-imidazo[1,5-c]imidazol-2-yl)-2-trifluoromethyl-benzonitrile
  参考文献：
  名称：

  Synthesis and SAR of novel hydantoin derivatives as selective androgen receptor modulators

  摘要：

  A novel series of hydantoin derivatives were identified by in vivo studies as tissue selective androgen receptor modulators. SAR around this series revealed that the function of the ligand could be altered by minor structural modification. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.08.084
• 作为产物：
  描述：

  三光气 、 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 4-(7a-methyl-1,3,5-trioxo-tetrahydro-imidazo[1,5-c]imidazol-2-yl)-2-trifluoromethyl-benzonitrile
  参考文献：
  名称：

  Synthesis and SAR of novel hydantoin derivatives as selective androgen receptor modulators

  摘要：

  A novel series of hydantoin derivatives were identified by in vivo studies as tissue selective androgen receptor modulators. SAR around this series revealed that the function of the ligand could be altered by minor structural modification. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.08.084

文献信息

• NOVEL BICYCLIC HETEROCYCLES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS
  申请人：Zhang Xuqing

  公开号：US20070197521A1

  公开（公告）日：2007-08-23

  The present invention is directed to novel bicyclic heterocycles, pharmaceutical compositions containing them and their use in the treatment of disorders and conditions modulated by the androgen receptor.

  本发明涉及新颖的双环杂环化合物，包含它们的药物组合物以及它们在治疗受雄激素受体调节的疾病和症状中的用途。
• BICYCLIC IMIDAZOLE OR THIADIAZOLE HETEROCYCLES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS
  申请人：Janssen Pharmaceutica, N.V.

  公开号：EP1991549A1

  公开（公告）日：2008-11-19
• US7626036B2
  申请人：——

  公开号：US7626036B2

  公开（公告）日：2009-12-01
• US8097730B2
  申请人：——

  公开号：US8097730B2

  公开（公告）日：2012-01-17
• [EN] BICYCLIC IMIDAZOLE OR THIADIAZOLE HETEROCYCLES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS<br/>[FR] IMIDAZOLE OU THIADIAZOLE BICYCLIQUE SERVANT DE MODULATEUR SELECTIF DE RECEPTEUR D'ANDROGENE
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2007095423A1

  公开（公告）日：2007-08-23

  [EN] The present invention is directed to novel bicyclic heterocycles, pharmaceutical compositions containing them and their use in the treatment of disorders and conditions modulated by the androgen receptor.
  [FR] La présente invention concerne de nouveaux hétérocycles bicycliques, les compositions pharmaceutiques les renfermant et leur utilisation dans le cadre du traitement de troubles et d'états modulés par le récepteur de l'androgène.