4-(3-三氟甲基-2-吡啶氧基)苯胺 | 1086378-47-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 4-(3-三氟甲基-2-吡啶氧基)苯胺
• 英文名称: 4-(3-trifluoromethyl-2-pyridyloxy)aniline
• 英文别名: 4-{[3-(Trifluoromethyl)pyridin-2-yl]oxy}aniline；4-[3-(trifluoromethyl)pyridin-2-yl]oxyaniline
• CAS: 1086378-47-3
• 化学式: C₁₂H₉F₃N₂O
• mdl: MFCD10703506
• 分子量: 254.211
• InChiKey: HFZANJHHMCRQBX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.083
• 拓扑面积：
  48.1
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-(3-三氟甲基-2-吡啶氧基)苯胺 在 potassium carbonate 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 四氢呋喃 、 氯仿 为溶剂， 生成 2-[(4-{[3-(Trifluoromethyl)pyridin-2-Yl]oxy}phenyl)amino]-1h-Benzimidazole-6-Carbonitrile
  参考文献：
  名称：

  2-Phenylamino-6-cyano-1H-benzimidazole-based isoform selective casein kinase 1 gamma (CK1γ) inhibitors

  摘要：

  Screening of the Amgen compound library led to the identification of 2-phenylamino-6-cyano-1H-benzimidazole 1a as a potent CK1 gamma inhibitor with excellent kinase selectivity and unprecedented CK1 isoform selectivity. Further structure-based optimization of this series resulted in the discovery of 1h which possessed good enzymatic and cellular potency, excellent CK1 isoform and kinase selectivity, and acceptable pharmacokinetic properties. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.07.046
• 作为产物：
  描述：

  2-氯-3-三氟甲基吡啶 在 铁粉 、 氯化铵 、 sodium t-butanolate 作用下， 以 乙醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 4-(3-三氟甲基-2-吡啶氧基)苯胺
  参考文献：
  名称：

  芳氧基苯胺基丙酸酯类化合物及其作为除草剂的应用

  摘要：

  芳氧基苯胺基丙酸酯类化合物，包括如下通式(I)表示的结构：其中，Ar为杂芳环或者稠杂环；杂芳环为稠杂环为R1、R2、R3、R4为H、卤素、硝基、甲氧基、甲基、甲酸甲酯基、氰基或三卤甲基中的一种或者几种；R5为H、C1～C4的直链或者支链的烷基，烷基上的氢被羟基、羧基、巯基、氨基、胍基、苯基取代；R6为甲基、乙基、丁基、中的一种；其优点是：此结构化合物，能保持芳氧苯氧丙酸酯类除草剂高效、速效、不易产生抗性等优点；同时可设计分子中的氨基酸官能团作为掺假氨基酸，抑制植物本身蛋白质的生物合成，对所有杂草具有防除作用。

  公开号：

  CN105439945A

文献信息

• AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS
  申请人：Allen Jennifer R.

  公开号：US20100160280A1

  公开（公告）日：2010-06-24

  Pyridine and pyrimidine compounds: or a pharmaceutically acceptable salt thereof, wherein m, n, R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , X 1 , X 2 , X 3 , X 4 , X 5 , X 6 , X 7 , X 8 , and Y are as defined in the specification; or a pharmaceutically acceptable salt thereof, wherein ring A, m, n, y, R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , X 1 , X 2 , and ring A are as defined in the specification; and or a pharmaceutically acceptable salt thereof, wherein m, n, y, R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 9 , X 1 , X 2 , and ring A are as defined in the specification; compositions containing them, and processes for preparing such compounds. Provided herein also are methods of treating disorders or diseases treatable by inhibition of PDE10, such as obesity, non-insulin dependent diabetes, schizophrenia, bipolar disorder, obsessive-compulsive disorder, and the like.

  吡啶和嘧啶化合物： 或者是根据说明书中定义的药用可接受盐，其中m、n、R1、R2、R3、R4、R5、R6、R7、X1、X2、X3、X4、X5、X6、X7、X8和Y都有所定义； 或者是根据说明书中定义的药用可接受盐，其中环A、m、n、y、R2、R3、R4、R5、R6、R7、R8、R9、X1、X2和环A都有所定义； 或者是根据说明书中定义的药用可接受盐，其中m、n、y、R2、R3、R4、R5、R6、R7、R9、X1、X2和环A都有所定义；含有它们的组合物以及制备这类化合物的方法。还提供了通过抑制PDE10治疗可治疗的疾病或病症的方法，例如肥胖、非胰岛素依赖型糖尿病、精神分裂症、双相情感障碍、强迫症等。
• AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS
  申请人：Amgen Inc.

  公开号：EP2376455B1

  公开（公告）日：2012-11-14
• US8637500B2
  申请人：——

  公开号：US8637500B2

  公开（公告）日：2014-01-28
• [EN] PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS<br/>[FR] DERIVES DE PYRIDINE ET DE PYRIMIDINE COMME INHIBITEURS DE PHOSPHODIESTERASE 10
  申请人：AMGEN INC

  公开号：WO2010057126A1

  公开（公告）日：2010-05-20

  Pyridine and pyrimidine compounds, and compositions containing them, and processes for preparing such compounds. Provided herein also are methods of treating disorders or diseases treatable by inhibition of PDE10, such as obesity, non-insulin dependent diabetes, schizophrenia, bipolar disorder, obsessive-compulsive disorder, and the like.
• [EN] AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS<br/>[FR] COMPOSÉS AMINOPYRIDINES ET CARBOXYPYRIDINES EN TANT QUE INHIBITEURS DE PHOSPHODIESTÉRASE 10
  申请人：AMGEN INC

  公开号：WO2010077992A1

  公开（公告）日：2010-07-08

  Pyridine and pyrimidine compounds: (I); or a pharmaceutically acceptable salt thereof, wherein m, n, R1, R2, R3, R4, R5, R6, R7, X1, X2, X3, X4, X5, X6, X7, X8, and Y are as defined in the specification; (II); or a pharmaceutically acceptable salt thereof, wherein ring A, m, n, y, R2, R3, R4, R5, R6, R7, R8, R9, X1, X2, and ring A are as defined in the specification; and (III); or a pharmaceutically acceptable salt thereof, wherein m, n, y, R2, R3, R4, R5, R6, R7, R9, X1, X2, and ring A are as defined in the specification; compositions containing them, and processes for preparing such compounds. Provided herein also are methods of treating disorders or diseases treatable by inhibition of PDE10, such as obesity, non-insulin dependent diabetes, schizophrenia, bipolar disorder, obsessive-compulsive disorder, and the like.