3-[3-(trifluoromethyl)phenyl]-4,5-dihydroisoxazole-5-carboxylic acid | 708274-24-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-[3-(trifluoromethyl)phenyl]-4,5-dihydroisoxazole-5-carboxylic acid
• 英文别名: 3-(3-trifluoromethylphenyl)-2-isoxazoline-5-carboxylic acid；3-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxylic acid
• CAS: 708274-24-2
• 化学式: C₁₁H₈F₃NO₃
• mdl: MFCD11543501
• 分子量: 259.185
• InChiKey: PAIJMBCCHZKCPD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.272
• 拓扑面积：
  58.9
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  3-[3-(trifluoromethyl)phenyl]-4,5-dihydroisoxazole-5-carboxylic acid 在 盐酸 、 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 、 三乙胺 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成 (3S)-1-(3-[3-(trifluoromethyl)phenyl]-4,5-dihydroisoxazol-5-ylcarbonyl)-pyrrolidin-3-amine hydrochloride
  参考文献：
  名称：

  [EN] A METHOD OF TREATING LIVER FIBROSIS
  [FR] MÉTHODE DE TRAITEMENT DE LA FIBROSE HÉPATIQUE

  摘要：

  本发明涉及一种使用本发明中的3-环烷基氨基吡咯烷衍生物治疗丙型肝炎和/或肝纤维化的方法。

  公开号：

  WO2012114223A1
• 作为产物：
  描述：

  3-(三氟甲基)苯甲醛肟 在 N-氯代丁二酰亚胺 、 水 、 三乙胺 、 sodium hydroxide 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 24.0h， 生成 3-[3-(trifluoromethyl)phenyl]-4,5-dihydroisoxazole-5-carboxylic acid
  参考文献：
  名称：

  [EN] A METHOD OF TREATING LIVER FIBROSIS
  [FR] MÉTHODE DE TRAITEMENT DE LA FIBROSE HÉPATIQUE

  摘要：

  本发明涉及一种使用本发明中的3-环烷基氨基吡咯烷衍生物治疗丙型肝炎和/或肝纤维化的方法。

  公开号：

  WO2012114223A1

文献信息

• 3-Cycloalkylaminopyrrolidine derivatives as modulators of chemokine receptors
  申请人：Xue Chu-Biao

  公开号：US20050192302A1

  公开（公告）日：2005-09-01

  The present invention relates to 3-cycloalkylaminopyrrolidine derivatives of the formula I: (wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , X, Y and Z are as defined herein) which are useful as modulators of chemokine receptor activity. In particular, these compounds are useful as modulators of chemokine receptors and more specifically as modulators of the CCR2 and/or CCR5 receptor. The compounds and compositions of the invention may bind to chemokine receptors, e.g., the CCR2 and/or CCR5 chemokine receptors, and are useful for treating diseases associated with chemokine, e.g., CCR2 and/or CCR5, activity, such as atherosclerosis, restenosis, lupus, organ transplant rejection and rheumatoid arthritis.

  本发明涉及公式I的3-环烷胺基吡咯烷衍生物：（其中R1、R2、R3、R4、R5、R6、R7、X、Y和Z如本文所定义），这些衍生物可用作化学因子受体活性的调节剂。特别是，这些化合物可用作化学因子受体的调节剂，更具体地作为CCR2和/或CCR5受体的调节剂。本发明的化合物和组合物可能结合化学因子受体，例如CCR2和/或CCR5化学因子受体，并且可用于治疗与化学因子（例如CCR2和/或CCR5）活性相关的疾病，如动脉粥样硬化、再狭窄、狼疮、器官移植排斥和类风湿性关节炎。
• 3-Aminopyrrolidine derivaties as modulators of chemokine receptors
  申请人：Xue Chu-Biao

  公开号：US20060252751A1

  公开（公告）日：2006-11-09

  The present invention relates to 3-aminopyrrolidine derivatives of the formula I: (wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , X, Y and X are as defined herein) which are useful as modulators of chemokine receptor activity. In particular, these compounds are useful as modulators of chemokine receptors and more specifically as a modulator of the CCR2 and/or CCR5 receptor. The compounds and compositions of the invention may bind to chemokine receptors, e.g., the CCR2 and/or CCR5 chemokine receptors, and are useful for treating diseases associated with chemokine, e.g., CCR2 and/or CCR5, activity, such as atherosclerosis, restenosis, lupus, organ transplant rejection and rheumatoid arthritis.

  本发明涉及式I的3-氨基吡咯烷衍生物（其中R1、R2、R3、R4、R5、R6、R7、R8、X、Y和X的定义如本文所述），它们可用作趋化因子受体活性调节剂。特别地，这些化合物可用作趋化因子受体的调节剂，更具体地作为CCR2和/或CCR5受体的调节剂。该发明的化合物和组合物可以结合趋化因子受体，例如CCR2和/或CCR5趋化因子受体，并用于治疗与趋化因子（例如CCR2和/或CCR5）活性相关的疾病，如动脉粥样硬化、再狭窄、狼疮、器官移植排斥和类风湿性关节炎。
• 3-Aminopyrrolidine Derivatives As Modulators Of Chemokine Receptors
  申请人：Xue Chu-Biao

  公开号：US20090247474A1

  公开（公告）日：2009-10-01

  The present invention relates to 3-aminopyrrolidine derivatives of the formula I: (wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , X, Y and X are as defined herein) which are useful as modulators of chemokine receptor activity. In particular, these compounds are useful as modulators of chemokine receptors and more specifically as a modulator of the CCR2 and/or CCR5 receptor. The compounds and compositions of the invention may bind to chemokine receptors, e.g., the CCR2 and/or CCR5 chemokine receptors, and are useful for treating diseases associated with chemokine, e.g., CCR2 and/or CCR5, activity, such as atherosclerosis, restenosis, lupus, organ transplant rejection and rheumatoid arthritis.

  本发明涉及公式I的3-氨基吡咯烷衍生物（其中R1、R2、R3、R4、R5、R6、R7、R8、X、Y和X如本文所定义），其可用作趋化因子受体活性调节剂。特别地，这些化合物可用作趋化因子受体的调节剂，更具体地作为CCR2和/或CCR5受体的调节剂。本发明的化合物和组合物可以结合趋化因子受体，例如CCR2和/或CCR5趋化因子受体，并且可用于治疗与趋化因子，例如CCR2和/或CCR5活性相关的疾病，例如动脉粥样硬化、再狭窄、狼疮、器官移植排斥和类风湿性关节炎。
• 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS
  申请人：Xue Chu-Biao

  公开号：US20090286792A1

  公开（公告）日：2009-11-19

  The present invention relates to 3-cycloalkylaminopyrrolidine derivatives of the formula I: (wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , X, Y and Z are as defined herein) which are useful as modulators of chemokine receptor activity. In particular, these compounds are useful as modulators of chemokine receptors and more specifically as modulators of the CCR2 and/or CCR5 receptor. The compounds and compositions of the invention may bind to chemokine receptors, e.g., the CCR2 and/or CCR5 chemokine receptors, and are useful for treating diseases associated with chemokine, e.g., CCR2 and/or CCR5, activity, such as atherosclerosis, restenosis, lupus, organ transplant rejection and rheumatoid arthritis.

  本发明涉及式I的3-环烷基氨基吡咯烷衍生物（其中R1，R2，R3，R4，R5，R6，R7，X，Y和Z如本文所定义），它们可用作趋化因子受体活性的调节剂。特别地，这些化合物可用作趋化因子受体的调节剂，更具体地，可用作CCR2和/或CCR5受体的调节剂。本发明的化合物和组合物可以结合趋化因子受体，例如CCR2和/或CCR5趋化因子受体，并可用于治疗与趋化因子，例如CCR2和/或CCR5活性相关的疾病，如动脉硬化，再狭窄，狼疮，器官移植排斥和类风湿性关节炎。
• 3-aminopyrrolidine derivatives as modulators of chemokine receptors
  申请人：Incyte Corporation

  公开号：US07985730B2

  公开（公告）日：2011-07-26

  The present invention relates to 3-aminopyrrolidine derivatives of the formula I: (wherein R1, R2, R3, R4, R5, R6, R7, R8, X, Y and X are as defined herein) which are useful as modulators of chemokine receptor activity. In particular, these compounds are useful as modulators of chemokine receptors and more specifically as a modulator of the CCR2 and/or CCR5 receptor. The compounds and compositions of the invention may bind to chemokine receptors, e.g., the CCR2 and/or CCR5 chemokine receptors, and are useful for treating diseases associated with chemokine, e.g., CCR2 and/or CCR5, activity, such as atherosclerosis, restenosis, lupus, organ transplant rejection and rheumatoid arthritis.

  本发明涉及式I的3-氨基吡咯烷衍生物（其中R1、R2、R3、R4、R5、R6、R7、R8、X、Y和X如本文所定义），它们可用作趋化因子受体活性调节剂。特别地，这些化合物可用作趋化因子受体的调节剂，更具体地说，可用作CCR2和/或CCR5受体的调节剂。本发明的化合物和组合物可以结合趋化因子受体，例如CCR2和/或CCR5趋化因子受体，并且可用于治疗与趋化因子（例如CCR2和/或CCR5）活性相关的疾病，例如动脉粥样硬化、再狭窄、狼疮、器官移植排斥和类风湿性关节炎。