4-羟基-4-(5-嘧啶基)环己酮 | 708274-26-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 4-羟基-4-(5-嘧啶基)环己酮
• 英文名称: 4-hydroxy-4-pyrimidin-5-yl-cyclohexanone
• 英文别名: 4-Hydroxy-4-(5-pyrimidinyl)cyclohexanone；4-hydroxy-4-pyrimidin-5-ylcyclohexan-1-one
• CAS: 708274-26-4
• 化学式: C₁₀H₁₂N₂O₂
• 分子量: 192.217
• InChiKey: MOFXSVPGVNPBAU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  63.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-羟基-4-(5-嘧啶基)环己酮 、 N-(azetidin-3-ylcarbamoylmethyl)-3-trifluoromethyl-benzamide 生成 N-{[1-(4-hydroxy-4-pyrimidin-5-yl-cyclohexyl)-azetidin-3-ylcarbamoyl]-methyl}-3-trifluoromethyl-benzamide
  参考文献：
  名称：

  4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANOL ANTAGONISTS OF CCR2

  摘要：

  本发明涉及公式(I)的化合物。其中：R1、R2、R3和R4如规范中所定义。本发明还涉及包含公式(I)化合物的药物组合物，并通过给予公式(I)化合物的方法来预防、治疗或改善CCr2介导的综合症、疾病或疾病，例如II型糖尿病、肥胖症或哮喘。

  公开号：

  US20100144695A1
• 作为产物：
  描述：

  8-pyrimidin-5-yl-1,4-dioxa-spiro[4.5]decan-8-ol 、 disodium;carbonate 在 乙酸乙酯 、 氯化钠 、 magnesium sulfate 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 以to give 0.11 g of 4-hydroxy-4-pyrimidin-5-ylcyclohexanone in 79% yield的产率得到4-羟基-4-(5-嘧啶基)环己酮
  参考文献：
  名称：

  3-Aminopyrrolidine Derivatives As Modulators Of Chemokine Receptors

  摘要：

  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。

  公开号：

  US20090247474A1

文献信息

• 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：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。
• 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS
  申请人：Xue Chu-Biao

  公开号：US20110251168A1

  公开（公告）日：2011-10-13

  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，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。
• 4-azetidinyl-1-heteroaryl-cyclohexanol antagonists of CCR2
  申请人：Zhang Xuqing

  公开号：US08450304B2

  公开（公告）日：2013-05-28

  The present invention comprises compounds of Formula (I). wherein: R1, R2, R3, and R4 are as defined in the specification. The invention also comprises pharmaceutical compositions comprising the compounds of formula (I) and methods of preventing, treating or ameliorating a CCR2 mediated syndrome, disorder or disease, for example, type II diabetes, obesity or asthma, by administering the compounds of formula (I).

  本发明包括式（I）的化合物。其中：R1，R2，R3和R4如规范中定义。本发明还包括包含式（I）化合物的药物组合物以及通过给予式（I）化合物预防、治疗或改善CCR2介导的综合征、紊乱或疾病的方法，例如二型糖尿病、肥胖症或哮喘。
• 3-Aminopyrrolidine Derivatives as Modulators of Chemokine Receptors
  申请人：Incyte Corporation

  公开号：EP2431357A2

  公开（公告）日：2012-03-21

  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）的 3-氨基吡咯烷衍生物，它们可用作趋化因子受体活性的调节剂。特别是，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与趋化因子受体结合，如CCR2和/或CCR5趋化因子受体，可用于治疗与趋化因子（如CCR2和/或CCR5）活性相关的疾病，如动脉粥样硬化、再狭窄、狼疮、器官移植排斥反应和类风湿性关节炎。