1-(2,6-difluorobenzoyl)piperidin-4-one | 948853-53-0

• 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: 1-(2,6-difluorobenzoyl)piperidin-4-one
• CAS: 948853-53-0
• 化学式: C₁₂H₁₁F₂NO₂
• mdl: MFCD09942573
• 分子量: 239.222
• InChiKey: YWSDKASTJVEUHW-UHFFFAOYSA-N

物化性质

• 沸点：
  390.3±42.0 °C(Predicted)
• 密度：
  1.333±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  37.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(2,6-difluorobenzoyl)piperidin-4-one 在 molecular sieve 、 三乙酰氧基硼氢化钠 、 氯化铵 、 溶剂黄146 作用下， 以 1,2-二氯乙烷 、 异丙醇 为溶剂， 生成 4-(((4-Chlorophenethyl)(1-(2,6-difluorobenzoyl)piperidin-4-yl)amino)methyl)-1,5-dimethyl-2-(4-nitrophenyl)-1,2-dihydropyrazol-3-one
  参考文献：
  名称：

  Pyrazolone methylamino piperidine derivatives as novel CCR3 antagonists

  摘要：

  The discovery and optimization of a novel class of potent CCR3 antagonists is described. Details of synthesis and SAR are given together with some ADME properties of selected compounds. An optimal balance between activities, physicochemical properties, and in vitro metabolic stability was reached by the proper choice of substituents. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.05.035
• 作为产物：
  描述：

  N-叔丁氧羰基-4-哌啶酮 在 三乙胺 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 1-(2,6-difluorobenzoyl)piperidin-4-one
  参考文献：
  名称：

  Pyrazolone methylamino piperidine derivatives as novel CCR3 antagonists

  摘要：

  The discovery and optimization of a novel class of potent CCR3 antagonists is described. Details of synthesis and SAR are given together with some ADME properties of selected compounds. An optimal balance between activities, physicochemical properties, and in vitro metabolic stability was reached by the proper choice of substituents. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.05.035

文献信息

• HETEROBICYCLIC COMPOUNDS USEFUL AS KINASE INHIBITORS
  申请人：Dhar T.G. Murali

  公开号：US20080275052A1

  公开（公告）日：2008-11-06

  A compound of Formula (I) and enantiomers, diastereomers and pharmaceutically-acceptable salts thereof. Also disclosed are pharmaceutical compositions containing compounds of Formula I, and methods of treating conditions associated with the activity of p38 kinase.

  一种由化合物（I）及其对映体、非对映体异构体和药用可接受的盐组成的复合物。还公开了含有化合物（I）的药物组合物，以及治疗与p38激酶活性相关疾病的方法。
• Heterobicyclic compounds useful as kinase inhibitors
  申请人：Bristol-Myers Squibb Company

  公开号：US08309571B2

  公开（公告）日：2012-11-13

  A compound of Formula (I) and enantiomers, diastereomers and pharmaceutically-acceptable salts thereof. Also disclosed are pharmaceutical compositions containing compounds of Formula I, and methods of treating conditions associated with the activity of p38 kinase.

  一种式（I）的化合物及其对映体、非对映异构体和药学上可接受的盐。还披露了含有式I化合物的制药组合物，以及治疗与p38激酶活性相关的疾病的方法。
• US7943617B2
  申请人：——

  公开号：US7943617B2

  公开（公告）日：2011-05-17
• US8309571B2
  申请人：——

  公开号：US8309571B2

  公开（公告）日：2012-11-13
• Pyrazolone methylamino piperidine derivatives as novel CCR3 antagonists
  作者：Cécile Pégurier、Philippe Collart、Pierre Danhaive、Sabine Defays、Michel Gillard、Frédéric Gilson、Thierry Kogej、Patrick Pasau、Nathalie Van Houtvin、Marc Van Thuyne、BerendJan van Keulen

  DOI：10.1016/j.bmcl.2007.05.035

  日期：2007.8

  The discovery and optimization of a novel class of potent CCR3 antagonists is described. Details of synthesis and SAR are given together with some ADME properties of selected compounds. An optimal balance between activities, physicochemical properties, and in vitro metabolic stability was reached by the proper choice of substituents. (c) 2007 Elsevier Ltd. All rights reserved.