3-(6-甲基吡啶-2-基乙炔)-2-环己酮 | 880292-10-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 3-(6-甲基吡啶-2-基乙炔)-2-环己酮
• 英文名称: 3-(6-methylpyridin-2-ylethynyl)cyclohex-2-enone
• 英文别名: 3-[(6-Methylpyridin-2-yl)ethynyl]cyclohex-2-en-1-one；3-[2-(6-methylpyridin-2-yl)ethynyl]cyclohex-2-en-1-one
• CAS: 880292-10-4
• 化学式: C₁₄H₁₃NO
• 分子量: 211.263
• InChiKey: ACZNCLRHSFNGTB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  30
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(6-甲基吡啶-2-基乙炔)-2-环己酮 在 吡啶 、 盐酸羟胺 作用下， 反应 17.0h， 以42%的产率得到3-(6-methyl-pyridin-2-ylethynyl)-cyclohex-2-enone oxime
  参考文献：
  名称：

  [EN] PYRIDYLACETYLENES FOR USE AS RADIOTRACERS AND IMAGING AGENTS
  [FR] PYRIDYLACETYLENES A UTILISER COMME RADIO-INDICATEURS ET AGENTS D'IMAGERIE

  摘要：

  本发明涉及一种新型的具有化学式I的吡啶基乙炔衍生物，其制备方法，作为放射示踪剂/标记物的用途以及含有它们的组合物。

  公开号：

  WO2005030723A1
• 作为产物：
  描述：

  2-溴-6-甲基吡啶 在 bis-triphenylphosphine-palladium(II) chloride sodium hydroxide 、 copper(l) iodide 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 、 苯 为溶剂， 反应 4.0h， 生成 3-(6-甲基吡啶-2-基乙炔)-2-环己酮
  参考文献：
  名称：

  ABP688, a novel selective and high affinity ligand for the labeling of mGlu5 receptors: Identification, in vitro pharmacology, pharmacokinetic and biodistribution studies

  摘要：

  [C-11]ABP688 (2) has recently been demonstrated to be a useful PET tracer for in vivo imaging of the metabotropic glutamate receptors type 5 (mGluR5) in rodents. We describe here the identification and preclinical profiling of ABP688 and its tritiated version [H-3]ABP688, and show that its high affinity (K-d = 2 nM), selectivity, and pharmacokinetic properties fulfill all requirements for development as a PET tracer for clinical imaging of the mGlu5 receptor. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2006.10.038

文献信息

• Pyridylacetylenes for Use as Radiotracers and Imaging Agents
  申请人：Gasparini Fabrizio

  公开号：US20090010838A1

  公开（公告）日：2009-01-08

  The present invention relates to novel pyridylacetylene derivatives of formula I their preparation, their use as radio-traces/markers and compositions containing them.

  本发明涉及一种新型的式I的吡啶基乙炔衍生物，它们的制备方法、它们作为放射性示踪剂/标记剂的用途以及包含它们的组合物。
• Pyridylacetylenes for use as radiotracers and imaging agents
  申请人：Gasparini Fabrizio

  公开号：US08674110B2

  公开（公告）日：2014-03-18

  The present invention relates to novel pyridylacetylene derivatives of formula I their preparation, their use as radio-traces/markers and compositions containing them.

  本发明涉及公式I的新型吡啶基乙炔衍生物，它们的制备方法，它们作为放射性示踪剂/标记物的用途以及含有它们的组合物。
• PYRIDYLACETYLENES FOR USE AS RADIOTRACERS AND IMAGING AGENTS
  申请人：Novartis AG

  公开号：EP1670762B1

  公开（公告）日：2012-12-05
• US8674110B2
  申请人：——

  公开号：US8674110B2

  公开（公告）日：2014-03-18
• ABP688, a novel selective and high affinity ligand for the labeling of mGlu5 receptors: Identification, in vitro pharmacology, pharmacokinetic and biodistribution studies
  作者：Samuel Hintermann、Ivo Vranesic、Hans Allgeier、Armin Brülisauer、Daniel Hoyer、Michel Lemaire、Thomas Moenius、Stephan Urwyler、Steven Whitebread、Fabrizio Gasparini、Yves P. Auberson

  DOI：10.1016/j.bmc.2006.10.038

  日期：2007.1

  [C-11]ABP688 (2) has recently been demonstrated to be a useful PET tracer for in vivo imaging of the metabotropic glutamate receptors type 5 (mGluR5) in rodents. We describe here the identification and preclinical profiling of ABP688 and its tritiated version [H-3]ABP688, and show that its high affinity (K-d = 2 nM), selectivity, and pharmacokinetic properties fulfill all requirements for development as a PET tracer for clinical imaging of the mGlu5 receptor. (c) 2006 Elsevier Ltd. All rights reserved.