4-chloro-5-methoxy-6-methylpicolinonitrile

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-chloro-5-methoxy-6-methylpicolinonitrile
• 英文别名: 4-Chloro-5-methoxy-6-methylpyridine-2-carbonitrile；4-chloro-5-methoxy-6-methylpyridine-2-carbonitrile
• 化学式: C₈H₇ClN₂O
• 分子量: 182.609
• InChiKey: DTRPEDJWNUFEKW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 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：

  4-chloro-5-methoxy-6-methylpicolinonitrile 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 2-(6-chloro-1H-benzo[d][1,2,3]triazol-1-yl)-1,1,3,3-tetramethyluronium hexafluorophosphate (V) 、 水 、 caesium carbonate 、 N,N-二异丙基乙胺 、 sodium hydroxide 作用下， 以 1,4-二氧六环 、 N,N-二甲基甲酰胺 、 异丙醇 为溶剂， 反应 6.75h， 生成 3-(5-fluoropyridin-2-yl)-5-(5'-methoxy-4,6'-dimethyl-[3,4'-bipyridin]-2'-yl)-1,2,4-oxadiazole
  参考文献：
  名称：

  [EN] HETEROARYL-LINKED ANALOGS AS MGLU5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME
  [FR] ANALOGUES LIÉS À UN HÉTÉROARYLE UTILISÉS EN TANT QUE MODULATEURS ALLOSTÉRIQUES NÉGATIFS DE MGLU5 ET LEURS PROCÉDÉS DE FABRICATION ET D'UTILISATION

  摘要：

  Disclosed are negative allosteric modulators of the metabotropic glutamate receptor subtype 5 (mGlu5); 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.

  公开号：

  WO2023043833A1
• 作为产物：
  描述：

  三甲基氰硅烷 、 4-氯-3-甲氧基-2-甲基吡啶 N-氧化物 在 三乙胺 作用下， 以 乙腈 为溶剂， 以47 %的产率得到4-chloro-5-methoxy-6-methylpicolinonitrile
  参考文献：
  名称：

  [EN] HETEROARYL-LINKED ANALOGS AS MGLU5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME
  [FR] ANALOGUES LIÉS À UN HÉTÉROARYLE UTILISÉS EN TANT QUE MODULATEURS ALLOSTÉRIQUES NÉGATIFS DE MGLU5 ET LEURS PROCÉDÉS DE FABRICATION ET D'UTILISATION

  摘要：

  Disclosed are negative allosteric modulators of the metabotropic glutamate receptor subtype 5 (mGlu5); 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.

  公开号：

  WO2023043833A1

文献信息

• WO2024059204A1
  申请人：——

  公开号：——

  公开（公告）日：——
• [EN] HETEROARYL-LINKED ANALOGS AS MGLU5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME<br/>[FR] ANALOGUES LIÉS À UN HÉTÉROARYLE UTILISÉS EN TANT QUE MODULATEURS ALLOSTÉRIQUES NÉGATIFS DE MGLU5 ET LEURS PROCÉDÉS DE FABRICATION ET D'UTILISATION
  申请人：[en]VANDERBILT UNIVERSITY

  公开号：WO2023043833A1

  公开（公告）日：2023-03-23

  Disclosed are negative allosteric modulators of the metabotropic glutamate receptor subtype 5 (mGlu5); 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.