2-((5-(trifluoromethyl)-1H-indazol-3-yl)amino)acetic acid | 604765-54-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-((5-(trifluoromethyl)-1H-indazol-3-yl)amino)acetic acid
• 英文别名: 2-(5-(trifluoromethyl)-1H-indazol-3-ylamino)acetic acid；(5-trifluoromethyl-1H-indazol-3-ylamino)-acetic acid；2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetic acid
• CAS: 604765-54-0
• 化学式: C₁₀H₈F₃N₃O₂
• 分子量: 259.188
• InChiKey: CSXMXKZNZRGAKY-UHFFFAOYSA-N

物化性质

• 沸点：
  511.0±50.0 °C(Predicted)
• 密度：
  1.628±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  78
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2-((5-(trifluoromethyl)-1H-indazol-3-yl)amino)acetic acid 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 6.0h， 生成 N-(azetidin-3-yl)-2-((5-(trifluoromethyl)-1H-indazol-3-yl)amino)acetamide trifluoroacetic acid
  参考文献：
  名称：

  Design, synthesis and SAR of indazole and benzoisoxazole containing 4-azetidinyl-1-aryl-cyclohexanes as CCR2 antagonists

  摘要：

  A novel series of 4-azetidinyl-1-aryl-cyclohexanes containing indazole or benzoisoxazole moiety have been identified as potent CCR2 antagonists with high selectivity versus hERG. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.08.074
• 作为产物：
  描述：

  2-氰基-1-氟-4-(三氟甲基)苯 在 sodium cyanoborohydride 、 溶剂黄146 、 肼 作用下， 以 甲醇 、 异丙醇 为溶剂， 反应 4.5h， 生成 2-((5-(trifluoromethyl)-1H-indazol-3-yl)amino)acetic acid
  参考文献：
  名称：

  Design, synthesis and SAR of indazole and benzoisoxazole containing 4-azetidinyl-1-aryl-cyclohexanes as CCR2 antagonists

  摘要：

  A novel series of 4-azetidinyl-1-aryl-cyclohexanes containing indazole or benzoisoxazole moiety have been identified as potent CCR2 antagonists with high selectivity versus hERG. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.08.074

文献信息

• CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2
  申请人：Zhang Xuqing

  公开号：US20110306592A1

  公开（公告）日：2011-12-15

  The present invention comprises compounds of Formula (I). wherein: R 1 , R 2 , X, and Z are as defined in the specification. The invention also comprises a method of preventing, treating or ameliorating a syndrome, disorder or disease, wherein said syndrome, disorder or disease is type II diabetes, obesity and asthma. The invention also comprises a method of inhibiting CCR2 activity in a mammal by administration of a therapeutically effective amount of at least one compound of Formula (I).

  本发明包括式(I)的化合物。其中：R1、R2、X和Z如规范中所定义。该发明还包括一种预防、治疗或改善综合症、紊乱或疾病的方法，其中所述综合症、紊乱或疾病为II型糖尿病、肥胖和哮喘。该发明还包括通过给哺乳动物施用至少一种式(I)化合物的治疗有效量来抑制CCR2活性的方法。
• Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity
  申请人：Carter H. Percy

  公开号：US20050054626A1

  公开（公告）日：2005-03-10

  The present application describes modulators of MCP-1 of formula (I): or pharmaceutically acceptable salt forms thereof, useful for the prevention of asthma, multiple sclerosis, artherosclerosis, and rheumatoid arthritis.

  本申请描述了MCP-1的调节剂，化学式为(I)：或其药用可接受的盐形式，用于预防哮喘、多发性硬化症、动脉粥样硬化和类风湿性关节炎。
• COMPOUNDS USEFUL AS ANTAGONISTS OF CCR2
  申请人：Ghosh Shomir

  公开号：US20120214807A1

  公开（公告）日：2012-08-23

  The present invention provides compounds of general formula I: or a pharmaceutically acceptable salt thereof, wherein X, n, Y, and R 1 are defined generally and in subsets herein. Compounds of the invention are inhibitors of CCR2 and accordingly are useful for the treatment of a variety of inflammatory, allergic, and autoimmune diseases, disorders, or conditions.

  本发明提供了一般式I的化合物：或其药学上可接受的盐，其中X，n，Y和R1在此总体上和子集中被定义。本发明的化合物是CCR2的抑制剂，因此可用于治疗各种炎症、过敏和自身免疫性疾病、障碍或病况。
• Cyclohexyl-azetidinyl antagonists of CCR2
  申请人：Zhang Xuqing

  公开号：US08436023B2

  公开（公告）日：2013-05-07

  The present invention comprises compounds of Formula (I). wherein: R1, R2, X, and Z are as defined in the specification. The invention also comprises a method of preventing, treating or ameliorating a syndrome, disorder or disease, wherein said syndrome, disorder or disease is type II diabetes, obesity and asthma. The invention also comprises a method of inhibiting CCR2 activity in a mammal by administration of a therapeutically effective amount of at least one compound of Formula (I).

  本发明涉及式(I)化合物，其中：R1、R2、X和Z如规范中所定义。本发明还涉及一种预防、治疗或改善综合症、紊乱或疾病的方法，其中所述综合症、紊乱或疾病是II型糖尿病、肥胖症和哮喘。本发明还涉及一种通过给哺乳动物治疗有效量的至少一种式(I)化合物来抑制CCR2活性的方法。
• Compounds Useful as Antagonists of CCR2
  申请人：Ghosh Shomir

  公开号：US20090197884A1

  公开（公告）日：2009-08-06

  The present invention provides compounds of general formula I: or a pharmaceutically acceptable salt thereof, wherein X, n, Y, and R1 are defined generally and in subsets herein. Compounds of the invention are inhibitors of CCR2 and accordingly are useful for the treatment of a variety of inflammatory, allergic, and autoimmune diseases, disorders, or conditions.

  本发明提供一般式I的化合物或其药学上可接受的盐，其中X、n、Y和R1在此概括和子集中定义。本发明的化合物是CCR2的抑制剂，因此可用于治疗各种炎症、过敏和自身免疫性疾病、紊乱或状况。