3-(Pyridin-3-yloxy)benzonitrile | 685533-77-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-(Pyridin-3-yloxy)benzonitrile
• 英文别名: 3-pyridin-3-yloxybenzonitrile
• CAS: 685533-77-1
• 化学式: C₁₂H₈N₂O
• 分子量: 196.208
• InChiKey: BDBPGLLFFMPFRC-UHFFFAOYSA-N

物化性质

• 沸点：
  334.7±22.0 °C(Predicted)
• 密度：
  1.23±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  45.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(Pyridin-3-yloxy)benzonitrile 在 硫酸 、 双(三甲基硅烷基)氨基钾 、 sodium hydroxide 作用下， 以 四氢呋喃 、 水 为溶剂， 生成 N-(2-methylpyridin-4-yl)-3-pyridin-3-yloxybenzamide
  参考文献：
  名称：

  Discovery of VU0409106: A negative allosteric modulator of mGlu5 with activity in a mouse model of anxiety

  摘要：

  Development of SAR in an aryl ether series of mGlu(5) NAMs leading to the identification of tool compound VU0409106 is described in this Letter. VU0409106 is a potent and selective negative allosteric modulator of mGlu5 that binds at the known allosteric binding site and demonstrates good CNS exposure following intraperitoneal dosing in mice. VU0409106 also proved efficacious in a mouse marble burying model of anxiety, an assay known to be sensitive to mGlu(5) antagonists as well as clinically efficacious anxiolytics. (c) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.09.001
• 作为产物：
  描述：

  3-羟基吡啶 、 间硝基苯腈 在 potassium carbonate 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 以44%的产率得到3-(Pyridin-3-yloxy)benzonitrile
  参考文献：
  名称：

  [EN] METHYLENE UREA DERIVATIVES AS RAF-KINASE INHIBITORS
  [FR] DERIVES DE METHYLENE UREE

  摘要：

  公开号：

  WO2004037789A3

文献信息

• SUBSTITUTED BENZAMIDE ANALOGS AS MGLUR5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME
  申请人：Conn P. Jeffrey

  公开号：US20110152299A1

  公开（公告）日：2011-06-23

  Disclosed are negative allosteric modulators of the metabotropic glutamate receptor subtype 5 (mGluR5); synthetic methods for making the compounds; pharmaceutical compositions comprising the compounds; and methods of treating neurological and psychiatric disorders associated with glutamate dysfunction using the compounds and compositions. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present invention

  本发明涉及代谢型谷氨酸受体亚型5（mGluR5）的负向变构调节剂；制备这些化合物的合成方法；包含这些化合物的制药组合物；以及使用这些化合物和组合物治疗与谷氨酸功能障碍相关的神经和精神障碍的方法。本摘要旨在作为搜索特定技术领域的扫描工具，并不意味着对本发明的限制。
• Substituted benzamide analogs as mGluR5 negative allosteric modulators and methods of making and using the same
  申请人：Conn P. Jeffrey

  公开号：US08796295B2

  公开（公告）日：2014-08-05

  Disclosed are negative allosteric modulators of the metabotropic glutamate receptor subtype 5 (mGluR5); synthetic methods for making the compounds; pharmaceutical compositions comprising the compounds; and methods of treating neurological and psychiatric disorders associated with glutamate dysfunction using the compounds and compositions. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present invention.

  本发明涉及代谢型谷氨酸受体亚型5（mGluR5）的负向变构调节剂；制备该化合物的合成方法；包含该化合物的制药组合物；以及使用该化合物和组合物治疗与谷氨酸功能障碍相关的神经和精神障碍的方法。本摘要旨在作为特定领域搜索的扫描工具，不限制本发明。
• METHYLENE UREA DERIVATIVES
  申请人：Buchstaller Hans-Peter

  公开号：US20090298885A1

  公开（公告）日：2009-12-03

  The present invention relates to methylene urea derivatives of formula (I), the use of the compounds of formula (I) as inhibitors of raf-kinase, the use of the compounds of formula (I) for the manufacture of a pharmaceutical composition and a method of treatment, comprising administering said pharmaceutical composition to a patient.
• Methylene Urea Derivatives
  申请人：Merck Patent GmbH

  公开号：US20130158076A1

  公开（公告）日：2013-06-20

  The present invention relates to methylene urea derivatives of formula (I), the use of the compounds of formula (I) as inhibitors of raf-kinase, the use of the compounds of formula (I) for the manufacture of a pharmaceutical composition and a method of treatment, comprising administering said pharmaceutical composition to a patient.
• US8410143B2
  申请人：——

  公开号：US8410143B2

  公开（公告）日：2013-04-02