3-(2-cyclopropyl-6-(3,5-dimethylisoxazol-4-yl)-1H-benzo [d]imidazol-4-yl)-2,4-dimethylpentan-3-ol

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 3-(2-cyclopropyl-6-(3,5-dimethylisoxazol-4-yl)-1H-benzo [d]imidazol-4-yl)-2,4-dimethylpentan-3-ol
• 英文别名: 3-(2-Cyclopropyl-6-(3,5-dimethylisoxazol-4-yl)-1H-benzo[d]imidazol-4-yl)-2,4-dimethylpentan-3-ol；3-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-2,4-dimethylpentan-3-ol
• 化学式: C₂₂H₂₉N₃O₂
• 分子量: 367.491
• InChiKey: SQEOONKAFQLVMX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  74.9
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-氨基-5-溴-3-硝基硼酸甲酯 在 [1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene](3-chloropyridyl)palladium(ll) dichloride 、 palladium 10% on activated carbon 、 氢气 、 caesium carbonate 、 溶剂黄146 、 三乙胺 作用下， 以 四氢呋喃 、 乙二醇二甲醚 、 乙醚 、 乙醇 、 水 为溶剂， 反应 6.5h， 生成 1-(2-cyclopropyl-6-(3,5-dimethylisoxazol-4-yl)-1H-benzo[d]imidazol-4-yl)-2-methylpropan-1-ol 、 3-(2-cyclopropyl-6-(3,5-dimethylisoxazol-4-yl)-1H-benzo [d]imidazol-4-yl)-2,4-dimethylpentan-3-ol
  参考文献：
  名称：

  BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS

  摘要：

  这个应用涉及可能作为抑制剂的化合物；或者可能以其他方式调节溴结构域含蛋白的活性，包括溴结构域含蛋白4（BRD4），以及含有这些化合物的组合物和配方，以及使用和制备这些化合物的方法。化合物包括式（I）的化合物 其中R 1a ，R 1b ，R 2 ，R 2b ，R 3 ，R 4a ，R 4b 和R 5 如本文所述。

  公开号：

  US20140336190A1

文献信息

• Benzimidazole derivatives as bromodomain inhibitors
  申请人：Gilead Sciences, Inc.

  公开号：US10017501B2

  公开（公告）日：2018-07-10

  This application relates to chemical compounds which may act as inhibitors of, or which may otherwise modulate the activity of, a bromodomain-containing protein, including bromodomain-containing protein 4 (BRD4), and to compositions and formulations containing such compounds, and methods of using and making such compounds. Compounds include compounds of Formula (I) wherein R1a, R1b, R2a, R2b, R3, R4a, R4b, and R5 are described herein.

  本申请涉及可作为含溴结构域蛋白（包括含溴结构域蛋白 4 (BRD4)）的抑制剂或以其它方式调节其活性的化合物，还涉及含有此类化合物的组合物和制剂，以及使用和制造此类化合物的方法。化合物包括式（I）化合物 其中 R1a、R1b、R2a、R2b、R3、R4a、R4b 和 R5 如本文所述。
• TREATMENT OF PROSTATE CANCER BY CONCOMITANT ADMINISTRATION OF A BROMODOMAIN INHIBITOR AND A SECOND AGENT
  申请人：Gilead Sciences, Inc.

  公开号：US20180153867A1

  公开（公告）日：2018-06-07

  Methods for treating prostate cancer comprising administering to a subject in need thereof a bromodomain inhibitor concomitantly with a second agent. The second agent may be an androgen receptor antagonist. In some methods, the prostate cancer is castrate-resistant prostate cancer.
• TREATMENT OF BREAST CANCER BY CONCOMITANT ADMINISTRATION OF A BROMODOMAIN INHIBITOR AND A SECOND AGENT
  申请人：Gilead Sciences, Inc.

  公开号：US20180153868A1

  公开（公告）日：2018-06-07

  Methods for treating breast cancer comprising administering to a subject in need thereof a bromodomain inhibitor concomitantly with a second agent. The second agent may be an aromatase inhibitor, a selective estrogen receptor modulator, or a selective estrogen receptor down-regulator. In some methods, the breast cancer is estrogen-receptor positive breast cancer.
• US9458145B2
  申请人：——

  公开号：US9458145B2

  公开（公告）日：2016-10-04
• [EN] BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS<br/>[FR] DÉRIVÉS DE BENZIMIDAZOLE EN TANT QU'INHIBITEURS DE BROMODOMAINE
  申请人：GILEAD SCIENCES INC

  公开号：WO2014182929A1

  公开（公告）日：2014-11-13

  This application relates to chemical compounds which may act as inhibitors of, or which may otherwise modulate the activity of, a bromodomain-containing protein, including bromodomain-containing protein 4 (BRD4), and to compositions and formulations containing such compounds, and methods of using and making such compounds. Compounds include compounds of Formula (I) wherein R1a, R1b, R2a, R2b, R3, R4a, R4b, and R5 are described herein.