4-(2,6-difluoro-4-(hydroxymethyl)phenoxy)-2-(trifluoromethyl)benzonitrile | 1421434-53-8

• 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: 4-(2,6-difluoro-4-(hydroxymethyl)phenoxy)-2-(trifluoromethyl)benzonitrile
• 英文别名: 4-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-2-(trifluoromethyl)benzonitrile
• CAS: 1421434-53-8
• 化学式: C₁₅H₈F₅NO₂
• 分子量: 329.226
• InChiKey: QIYVMUIJTISIKL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  53.2
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  、 4-(2,6-difluoro-4-(hydroxymethyl)phenoxy)-2-(trifluoromethyl)benzonitrile 、 sodium;hydride 、 7-chloro-1-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-5(1H)-one 以 N,N-二甲基甲酰胺 为溶剂， 生成 4-(2,6-difluoro-4-(((1-methyl-5-oxo-1,2,3,5-tetrahydroimidazo[1,2-c]pyrimidin-7-yl)oxy)methyl)phenoxy)-2-(trifluoromethyl)benzonitrile
  参考文献：
  名称：

  2,3-dihydroimidazo[1, 2-c] pyrimidin-5(1 H)-one compounds use as LP-PLA2 inhibitors

  摘要：

  本发明涉及抑制Lp-PLA2的2,3-二氢咪唑[1,2-c]嘧啶-5（IH）-酮化合物，其制备方法，包含它们的组合物以及它们在治疗与Lp-PLA2活性相关的疾病，例如动脉粥样硬化，阿尔茨海默病中的应用。

  公开号：

  US08975400B2

文献信息

• 2,3-DIHYDROIMIDAZO[1 ,2-c] PYRIMIDIN-5(1 H)-ONE COMPOUNDS USE AS LP-PLA2 INHIBITORS
  申请人：Wan Zehong

  公开号：US20140179715A1

  公开（公告）日：2014-06-26

  Disclosed are 2,3-dihydroimidazo[1,2-c]pyrimidin-5(1H)-one compounds that inhibit Lp-PLA 2 , processes for their preparation, compositions containing them and their use in the treatment of diseases associated with the activity of Lp-PLA 2 , for example atherosclerosis, Alzheimer's disease.

  本文披露了抑制Lp-PLA2的2,3-二氢咪唑并[1,2-c]嘧啶-5(1H)-酮化合物，以及它们的制备方法、含有它们的组合物以及它们在治疗与Lp-PLA2活性相关的疾病中的用途，例如动脉粥样硬化、阿尔茨海默病。
• Pyrimidone compounds used as Lp-PLA2 inhibitors and pharmaceutical compositions thereof
  申请人：Shanghai Institute of Materia Medica, Chinese Academy of Sciences

  公开号：US10280146B2

  公开（公告）日：2019-05-07

  The present invention relates to pyrimidone compounds used as Lp-PLA2 inhibitors and pharmaceutical compositions thereof. The structure of the pyrimidone compounds is represented by general formula (I), wherein R1, R2, R3, X, Ar, Y and n are defined as in the specification and claims. The compounds of general formula (I) in the present invention, stereoisomers and pharmaceutically acceptable salts thereof can be used as Lp-PLA2 inhibitors for preventing, treating and/or ameliorating diseases associated with the activity of Lp-PLA2 enzyme.

  本发明涉及用作 Lp-PLA2 抑制剂的嘧啶酮化合物及其药物组合物。嘧啶酮化合物的结构由通式（I）表示，其中 R1、R2、R3、X、Ar、Y 和 n 的定义如说明书和权利要求书中所述。本发明中通式(I)化合物、其立体异构体和药学上可接受的盐可用作 Lp-PLA2 抑制剂，用于预防、治疗和/或改善与 Lp-PLA2 酶活性有关的疾病。
• [EN] PYRIMIDONE COMPOUNDS USED AS LP-PLA2 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS THEREOF<br/>[FR] COMPOSÉS PYRIMIDONE UTILISÉS COMME INHIBITEURS DE LA LP-PLA2 ET COMPOSITIONS PHARMACEUTIQUES ASSOCIÉES<br/>[ZH] 用作Lp-PLA2抑制剂的嘧啶酮类化合物及其药物组合物
  申请人：SHAGNHAI INST OF MATERIA MEDICA CHINESE ACADEMY OF SCIENCES

  公开号：WO2016101927A1

  公开（公告）日：2016-06-30

  本发明涉及用作Lp-PLA2抑制剂的嘧啶酮类化合物及其药物组合物，所述嘧啶酮类化合物的结构如通式I所示，R1、R2、R3、X、Ar、Y、n的定义如说明书和权利要求书所示。本发明的通式I化合物其立体异构体或其药学上可以接受的盐，可用作Lp-PLA2抑制剂，预防和/或治疗和/或改善与Lp-PLA2酶活性有关的疾病。
• PYRIMIDONE COMPOUNDS USED AS LP-PLA2 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS THEREOF
  申请人：Shanghai Institute Of Materia Medica Chinese Academy of Sciences

  公开号：EP3239135B1

  公开（公告）日：2022-05-04
• Pyrimidone Compounds Used as Lp-PLA2 Inhibitors and Pharmaceutical Compositions Thereof
  申请人：Shanghai Institute of Materia Medica, Chinese Academy of Sciences

  公开号：US20190248751A1

  公开（公告）日：2019-08-15

  The present invention relates to pyrimidone compounds used as Lp-PLA 2 inhibitors and pharmaceutical compositions thereof. The structure of the pyrimidone compounds is represented by general formula (I), wherein R 1 , R 2 , R 3 , X, Ar, Y and n are defined as in the specification and claims. The compounds of general formula (I) in the present invention, stereoisomers and pharmaceutically acceptable salts thereof can be used as Lp-PLA 2 inhibitors for preventing, treating and/or ameliorating diseases associated with the activity of Lp-PLA 2 enzyme.