4-[3-[4-Cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(fluoromethyl)benzamide

• 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-[3-[4-Cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(fluoromethyl)benzamide
• 英文别名: 4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(fluoromethyl)benzamide
• 化学式: C₂₁H₁₆F₄N₄O₂S
• 分子量: 464.4
• InChiKey: ZLEOYFSVGOWWTC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  32
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  123
• 氢给体数：
  1
• 氢受体数：
  8

文献信息

• [EN] COMBINATION DRUG THERAPY<br/>[FR] POLYTHÉRAPIE MÉDICAMENTEUSE
  申请人：GLAXOSMITHKLINE LLC

  公开号：WO2015042029A1

  公开（公告）日：2015-03-26

  A novel combination comprising the androgen receptor inhibitor, 4-(3-(4-Cyano-3-(trifluoromethyl)phenyl)-5,5-dimethyl-4-oxo-2-thioxoimidazolidin-1-yl)-2-fluoro-N-methylbenzamide or a pharmaceutically acceptable salt or solvate thereof, with a PI3Kß inhibitor, 2-methyl-1-[2-methyl-3-(trifluoromethyl)phenyl]methyl}-6-(4-morpholinyl)-1H-benzimidazole-4-carboxylic acid, or a pharmaceutically acceptable salt thereof, pharmaceutical compositions comprising the same and methods of using such combinations and compositions in the treatment of conditions in which the inhibition of androgen receptor and/or PI3Kß is beneficial, e.g., cancer.

  一种新型组合物，包括雄激素受体抑制剂4-(3-(4-氰基-3-(三氟甲基)苯基)-5,5-二甲基-4-羰基-2-硫代咪唑啉-1-基)-2-氟-N-甲基苯甲酰胺或其药学上可接受的盐或溶剂，以及PI3Kß抑制剂2-甲基-1-[2-甲基-3-(三氟甲基)苯基]甲基}-6-(4-吗啉基)-1H-苯并咪唑-4-羧酸或其药学上可接受的盐，包含这些药物的药物组合物，以及在治疗对雄激素受体和/或PI3Kß的抑制有益的疾病（如癌症）中使用这些组合物和组合物的方法。
• COMBINATION DRUG THERAPY
  申请人：GlaxoSmithKline LLC

  公开号：EP3046556A1

  公开（公告）日：2016-07-27
• ENZALUTAMIDE IN COMBINATION WITH AFURESERTIB FOR THE TREATMENT OF CANCER
  申请人：Novartis AG

  公开号：EP3052098A1

  公开（公告）日：2016-08-10
• [EN] ENZALUTAMIDE IN COMBINATION WITH AFURESERTIB FOR THE TREATMENT OF CANCER<br/>[FR] UTILISATION COMBINÉE D'ENZALUTAMIDE ET D'AFURESERTIB DANS LE TRAITEMENT DU CANCER
  申请人：GLAXOSMITHKLINE IP NO 2 LTD

  公开号：WO2015049650A1

  公开（公告）日：2015-04-09

  A novel combination comprising an androgen receptor inhibitor, for example: 4- (3-(4-Cyano-3-(trifluoromethyl)phenyl)-5,5-dimethyl-4-oxo-2-thioxoimidazolidin-1-yl)-2- fluoro-N-methylbenzamide or a pharmaceutically acceptable salt thereof, and an AKT inhibiting compound, for example: N-(1S)-2-amino-1-[(3-fluorophenyl)methyl]ethyl}-5- chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)-2-thiophenecarboxamide, or a pharmaceutically acceptable salt thereof, and optional additional antineoplastic agents; pharmaceutical compositions comprising the same and methods of using such combinations and compositions in the treatment of conditions in which androgen receptor inhibition and/or AKT inhibition is beneficial, e.g., cancer.