2-(2,2,2-trifluoroethylamino)-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydroindazol-1-yl)benzonitrile

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(2,2,2-trifluoroethylamino)-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydroindazol-1-yl)benzonitrile
• 英文别名: 2-(2,2,2-Trifluoroethylamino)-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzonitrile
• 化学式: C₁₉H₁₉F₃N₄O
• 分子量: 376.381
• InChiKey: KYMBVWAKEWENAL-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：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  70.7
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  2-溴-4-(3,6,6-三甲基-4-氧代-4,5,6,7-四氢-1H-吲唑-1-基)苯甲腈 、 2,2,2-三氟乙基胺 在 palladium diacetate 1,1'-双(二苯基膦)二茂铁 、 sodium t-butanolate 作用下， 以 甲苯 为溶剂， 反应 0.25h， 以50%的产率得到2-(2,2,2-trifluoroethylamino)-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydroindazol-1-yl)benzonitrile
  参考文献：
  名称：

  WO2006/91963

  摘要：

  公开号：

文献信息

• Benzene, pyridine, and pyridazine derivatives
  申请人：Huang He Kenneth

  公开号：US20060211737A1

  公开（公告）日：2006-09-21

  Disclosed are compounds and pharmaceutically acceptable salts of Formula I wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , n, Q 1 , Q 2 , Q 3 , Y, and X 1 -X 4 are as defined herein. Compounds of Formula I are useful in the treatment of diseases and/or conditions related to cell proliferation, such as cancer, inflammation, arthritis, angiogenesis, or the like. Also disclosed are pharmaceutical compositions comprising compounds of the invention and methods of treating the aforementioned conditions using such compounds.

  本发明涉及式I的化合物和药学上可接受的盐，其中R1、R2、R3、R4、R5、R6、R7、n、Q1、Q2、Q3、Y和X1-X4如本文所定义。式I的化合物在治疗与细胞增殖相关的疾病和/或病况方面有用，例如癌症、炎症、关节炎、血管生成或类似的疾病。本发明还涉及包括该化合物的药物组合物和使用这种化合物治疗上述疾病的方法。
• Benzene, Pyridine, and Pyridazine Derivatives
  申请人：Huang Kenneth He

  公开号：US20080096887A1

  公开（公告）日：2008-04-24

  Disclosed are compounds and pharmaceutically acceptable salts of Formula I wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , n, Q 1 , Q 2 , Q 3 , Y, and X 1 -X 4 are as defined herein. Compounds of Formula I are useful in the treatment of diseases and/or conditions related to cell proliferation, such as cancer, inflammation, arthritis, angiogenesis, or the like. Also disclosed are pharmaceutical compositions comprising compounds of the invention and methods of treating the aforementioned conditions using such compounds.

  本发明公开了式I的化合物和药学上可接受的盐，其中R1、R2、R3、R4、R5、R6、R7、n、Q1、Q2、Q3、Y和X1-X4的定义如本文所述。式I的化合物可用于治疗与细胞增殖有关的疾病和/或疾病，例如癌症、炎症、关节炎、血管生成或类似疾病。本发明还公开了包含本发明化合物的制药组合物和使用这些化合物治疗上述疾病的方法。
• BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES
  申请人：Huang Kenneth He

  公开号：US20110183977A1

  公开（公告）日：2011-07-28

  Disclosed are compounds and pharmaceutically acceptable salts of Formula I wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , n, Q 1 , Q 2 , Q 3 , Y, and X 1 -X 4 are as defined herein. Compounds of Formula I are useful in the treatment of diseases and/or conditions related to cell proliferation, such as cancer, inflammation, arthritis, angiogenesis, or the like. Also disclosed are pharmaceutical compositions comprising compounds of the invention and methods of treating the aforementioned conditions using such compounds.

  本发明揭示了公式I的化合物和药学上可接受的盐，其中R1、R2、R3、R4、R5、R6、R7、n、Q1、Q2、Q3、Y和X1-X4的定义如本文所述。公式I的化合物在治疗与细胞增殖相关的疾病和/或病况，例如癌症、炎症、关节炎、血管生成等方面非常有用。本发明还揭示了包含本发明化合物的药物组合物以及使用这些化合物治疗上述病况的方法。
• Tetrahydroindolone and tetrahydroindazolone derivatives
  申请人：Serenex, Inc.

  公开号：EP2380879A1

  公开（公告）日：2011-10-26

  Disclosed are compounds and pharmaceutically acceptable salts of Formula (I) : wherein R1, R2, R3, R4, R5, R6, R7, n, Q1, Q2, Q3, Y, and X1-X4 are as defined herein. Compounds of Formula (I) are useful in the treatment of diseases and/or conditions related to cell proliferation, such as cancer, inflammation, arthritis, angiogenesis, or the like. Also disclosed are pharmaceutical compositions comprising compounds of the invention and methods of treating the aforementioned conditions using such compounds.

  公开了式 (I) 的化合物和药学上可接受的盐类：其中 R1、R2、R3、R4、R5、R6、R7、n、Q1、Q2、Q3、Y 和 X1-X4 如本文所定义。式（I）化合物可用于治疗与细胞增殖有关的疾病和/或病症，如癌症、炎症、关节炎、血管生成或类似疾病。还公开了包含本发明化合物的药物组合物和使用此类化合物治疗上述病症的方法。
• TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES
  申请人：Serenex, Inc.

  公开号：EP1856057A1

  公开（公告）日：2007-11-21