N-methyl-4-(1-cyanocyclobutylamino)-2-fluorobenzamide | 1332392-40-1

• 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: N-methyl-4-(1-cyanocyclobutylamino)-2-fluorobenzamide
• 英文别名: 4-[(1-cyanocyclobutyl)amino]-3-fluoro-N-methylbenzamide
• CAS: 1332392-40-1
• 化学式: C₁₃H₁₄FN₃O
• 分子量: 247.272
• InChiKey: GGOAGJZOVROCRB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  64.9
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-methyl-4-(1-cyanocyclobutylamino)-2-fluorobenzamide 、 4-异硫代氰酰基-2-(三氟甲基)苯甲腈 以 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 生成
  参考文献：
  名称：

  Structure−Activity Relationship for Thiohydantoin Androgen Receptor Antagonists for Castration-Resistant Prostate Cancer (CRPC)

  摘要：

  A structure activity relationship study was carried out on a series of thiohydantoins and their analogues 14 which led to the discovery of 92 (MDV3100) as the clinical candidate for the treatment of hormone refractory prostate cancer.

  DOI：

  10.1021/jm901488g
• 作为产物：
  描述：

  sodium cyanide 、 4-氨基-2-氟-n-甲基苯甲酰胺 、 环丁酮 在 溶剂黄146 作用下， 以 水 为溶剂， 反应 24.0h， 以89%的产率得到N-methyl-4-(1-cyanocyclobutylamino)-2-fluorobenzamide
  参考文献：
  名称：

  Structure−Activity Relationship for Thiohydantoin Androgen Receptor Antagonists for Castration-Resistant Prostate Cancer (CRPC)

  摘要：

  A structure activity relationship study was carried out on a series of thiohydantoins and their analogues 14 which led to the discovery of 92 (MDV3100) as the clinical candidate for the treatment of hormone refractory prostate cancer.

  DOI：

  10.1021/jm901488g

文献信息

• [EN] ANDROGEN RECEPTOR MODULATORS AND USES THEREOF<br/>[FR] MODULATEURS DU RÉCEPTEUR DES ANDROGÈNES ET LEURS UTILISATIONS
  申请人：ARAGON PHARMACEUTICALS INC

  公开号：WO2011103202A2

  公开（公告）日：2011-08-25

  Described herein are compounds that are androgen receptor modulators. Also described are pharmaceutical compositions and medicaments that include the compounds described herein, as well as methods of using such androgen receptor modulators, alone and in combination with other compounds, for treating diseases or conditions that are mediated or dependent upon androgen receptors.

  本文介绍的是雄激素受体调节剂化合物。还描述了包括所述化合物的制药组合物和药物，以及使用这种雄激素受体调节剂，单独或与其他化合物结合使用，治疗与雄激素受体有关或依赖于雄激素受体的疾病或病症的方法。
• ANDROGEN RECEPTOR MODULATORS AND USES THEREOF
  申请人：Smith Nicholas D.

  公开号：US20130116258A1

  公开（公告）日：2013-05-09

  Described herein are compounds that are androgen receptor modulators. Also described are pharmaceutical compositions and medicaments that include the compounds described herein, as well as methods of using such androgen receptor modulators, alone and in combination with other compounds, for treating diseases or conditions that are mediated or dependent upon androgen receptors.

  本文描述了一些雄激素受体调节剂化合物。还描述了包括上述化合物的药物组合物和药物，以及使用这些雄激素受体调节剂，单独或与其他化合物组合使用，治疗与雄激素受体相关或依赖的疾病或病症的方法。
• Androgen receptor modulators and uses thereof
  申请人：Aragon Pharmaceuticals, Inc.

  公开号：EP2824102A1

  公开（公告）日：2015-01-14

  Described herein are compounds (Ia) that are androgen receptor modulators. Also described are pharmaceutical compositions and medicaments that include the compounds described herein, as well as methods of using such androgen receptor modulators, alone and in combination with other compounds, for treating diseases or conditions that are mediated or dependent upon androgen receptors. The treatment of cancer is claimed.

  本文描述的化合物（Ia）是雄激素受体调节剂。还描述了包括本文所述化合物的药物组合物和药物，以及单独或与其他化合物结合使用这种雄激素受体调节剂治疗介导或依赖于雄激素受体的疾病或病症的方法。 要求治疗癌症。
• US9108944B2
  申请人：——

  公开号：US9108944B2

  公开（公告）日：2015-08-18
• US9481664B2
  申请人：——

  公开号：US9481664B2

  公开（公告）日：2016-11-01