5-(trifluoromethyl)-1,2-benzoxazol-3-amine | 868271-14-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并异恶唑
• 英文名称: 5-(trifluoromethyl)-1,2-benzoxazol-3-amine
• 英文别名: 5-(trifluoromethyl)benzo[d]isoxazol-3-amine；5-trifluoromethyl-benzo[d]isoxazol-3-ylamine
• CAS: 868271-14-1
• 化学式: C₈H₅F₃N₂O
• mdl: MFCD11847114
• 分子量: 202.136
• InChiKey: LSKOZQNIAMSAIB-UHFFFAOYSA-N

物化性质

• 沸点：
  304.2±37.0 °C(Predicted)
• 密度：
  1.493±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  52
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5-(trifluoromethyl)-1,2-benzoxazol-3-amine 在 sodium cyanoborohydride 、 溶剂黄146 作用下， 以 甲醇 为溶剂， 反应 2.5h， 生成 (5-trifluoromethyl-benzo[d]isoxazol-3-ylamino)-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
• 作为产物：
  描述：

  2-氟-5-三氟甲基苯甲酸 在 氯化亚砜 、 potassium carbonate 、 氯化铵 、 N,N-二甲基甲酰胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 14.08h， 生成 5-(trifluoromethyl)-1,2-benzoxazol-3-amine
  参考文献：
  名称：

  [EN] BICYCLIC DERIVATIVES AS CCR2 MODULATORS
  [FR] DÉRIVÉS BICYCLIQUES UTILISÉS EN TANT QUE MODULATEURS DE CCR2

  摘要：

  The present disclosure relates generally to small molecule modulators of chemotactic cytokines (chemokine) receptors CCR2, or a pharmaceutically acceptable salt, stereoisomer, mixture of stereoisomers or prodrug thereof, and methods of making and using thereof.

  公开号：

  WO2023081661A1

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。
• 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。
• CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2
  申请人：Janssen Pharmaceutica, N.V.

  公开号：EP2580208A1

  公开（公告）日：2013-04-17
• US8436023B2
  申请人：——

  公开号：US8436023B2

  公开（公告）日：2013-05-07
• [EN] CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2<br/>[FR] ANTAGONISTES CYCLOHEXYL-AZÉTIDINYLIQUES DE CCR2
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2011156554A1

  公开（公告）日：2011-12-15

  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).