恩杂鲁胺杂质20 | 1242137-19-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 中文名称: 恩杂鲁胺杂质20
• 英文名称: 4-(3-(4-cyano-3-(trifluoromethyl)phenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-l-yl)-2-fluorobenzoic acid
• 英文别名: Enzalutamide metabolite M5；4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]-2-fluorobenzoic acid
• CAS: 1242137-19-4
• 化学式: C₂₀H₁₃F₄N₃O₄
• 分子量: 435.335
• InChiKey: HLAJSPJIWQUPBY-UHFFFAOYSA-N

物化性质

• 沸点：
  586.6±60.0 °C(Predicted)
• 密度：
  1.57±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  31
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  102
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  恩杂鲁胺杂质酸 在 氯化亚砜 、 水 作用下， 反应 15.0h， 生成 恩杂鲁胺杂质20
  参考文献：
  名称：

  [EN] SPECIFIC DIARYLHYDANTOIN AND DIARYLTHIOHYDANTOIN COMPOUNDS
  [FR] COMPOSÉS SPÉCIFIQUES DE TYPE DIARYLHYDANTOÏNE ET DIARYLTHIOHYDANTOÏNE

  摘要：

  本发明提供了包括特定的二芳基醒目噻唑啉和二芳基硫代醒目噻唑啉化合物或其盐或溶剂化物的组合物，例如制药组合物。本发明还描述了化合物的分离和纯化形式，以及单剂量形式，基本纯化化合物的组合物和包含这些化合物的工具箱。这些化合物和药物组合物可能用于预防和/或治疗各种疾病，包括前列腺癌，帕金森病，阿尔茨海默病和其他疾病。

  公开号：

  WO2010099238A1

文献信息

• AN IMPROVED PROCESS FOR THE PREPARATION OF ENZALUTAMIDE
  申请人：Laurus Labs Private Limited

  公开号：US20170313662A1

  公开（公告）日：2017-11-02

  The present invention relates to an improved process for the preparation of enzalutamide by conventional synthesis, which avoids utilization of microwave irradiation and noxious reagents. The present invention also relates to an improved process for preparation of 4-isothiocyanato-2-(trifluoromethyl) benzonitrile, which is an intermediate in the synthesis of Enzalutamide.

  本发明涉及一种改进的常规合成制备恩扎鲁胺的方法，避免使用微波辐射和有害试剂。本发明还涉及一种改进的制备4-异硫氰酸基-2-(三氟甲基)苯甲腈的方法，该方法是制备恩扎鲁胺的中间体。
• SPECIFIC DIARYLHYDANTOIN AND DIARYLTHIOHYDANTOIN COMPOUNDS
  申请人：Jain Rajendra Parasmal

  公开号：US20120035231A1

  公开（公告）日：2012-02-09

  Compositions, such as pharmaceutical compositions, comprising specific diarylhydantoin and diarylthiohydantoin compounds, or salts or solvates thereof, are provided. Isolated and purified forms of the compounds are also described, as are unit dosage forms, compositions of substantially pure compound and kits comprising the compounds. The compounds and pharmaceutical compositions thereof may find use in the prevention and/or treatment of a variety of conditions, including prostate cancer, Parkinson's disease, Alzheimer's disease, and others.

  提供了包括特定二苯基异噻唑啉和二苯基噻唑啉化合物或其盐或溶剂化物等组成物，例如药物组合物。还描述了化合物的分离和纯化形式，以及单剂量形式，基本纯化化合物的组合物和包含这些化合物的套件。这些化合物和药物组合物可能用于预防和/或治疗多种疾病，包括前列腺癌，帕金森病，阿尔茨海默病等等。
• Specific diarylhydantoin and diarylthiohydantoin compounds
  申请人：Jain Rajendra Parasmal

  公开号：US08524755B2

  公开（公告）日：2013-09-03

  Compositions, such as pharmaceutical compositions, comprising specific diarylhydantoin and diarylthiohydantoin compounds, or salts or solvates thereof, are provided. Isolated and purified forms of the compounds are also described, as are unit dosage forms, compositions of substantially pure compound and kits comprising the compounds. The compounds and pharmaceutical compositions thereof may find use in the prevention and/or treatment of a variety of conditions, including prostate cancer, Parkinson's disease, Alzheimer's disease, and others.

  提供了特定的二芳基异噻唑啉和二芳基咪唑啉化合物或其盐或溶剂化物等组成物，例如药物组成物。该文还描述了化合物的分离和纯化形式，以及单剂量形式、基本纯化化合物的组成物和包含这些化合物的工具箱。这些化合物和其药物组成物可用于预防和/或治疗多种疾病，包括前列腺癌、帕金森病、阿尔茨海默病等。
• Process for the preparation of enzalutamide
  申请人：Laurus Labs Ltd.

  公开号：US10626091B2

  公开（公告）日：2020-04-21

  The present invention relates to an improved process for the preparation of enzalutamide by conventional synthesis, which avoids utilization of microwave irradiation and noxious reagents. The present invention also relates to an improved process for preparation of 4-isothiocyanato-2-(trifluoromethyl) benzonitrile, which is an intermediate in the synthesis of Enzalutamide.

  本发明涉及一种通过常规合成制备恩杂鲁胺的改进工艺，该工艺避免了微波辐照和有毒试剂的使用。本发明还涉及一种制备 4-异硫氰基-2-(三氟甲基)苯腈的改进工艺，它是合成恩杂鲁胺的中间体。
• TREATMENT OF BREAST CANCER
  申请人：Protter Andrew A.

  公开号：US20140296312A1

  公开（公告）日：2014-10-02

  The disclosure describes the use of one or more compounds that fall within the scope of one or more of structural formulae I, II, III, IV, V, or VI for treating triple negative breast Compounds useful for treating breast cancer include those compounds of formulae I, II, III, IV, V, or VI that inhibit proliferation of breast cancer cells and/or lead to the death of breast cancer cells, especially triple negative breast cancer.