[3-Cyano-1-(3-methylbutyl)-2-oxopyridin-4-yl] trifluoromethanesulfonate | 950201-38-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: [3-Cyano-1-(3-methylbutyl)-2-oxopyridin-4-yl] trifluoromethanesulfonate
• CAS: 950201-38-4
• 化学式: C₁₂H₁₃F₃N₂O₄S
• 分子量: 338.307
• InChiKey: NHBHMKUFFOOIIO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  95.8
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  [3-Cyano-1-(3-methylbutyl)-2-oxopyridin-4-yl] trifluoromethanesulfonate 在 lithium hydroxide 、 水 、 三乙胺 作用下， 以 四氢呋喃 、 1,4-二氧六环 为溶剂， 反应 2.58h， 生成 3-[4-[3-Cyano-1-(3-methylbutyl)-2-oxopyridin-4-yl]phenyl]propanoic acid
  参考文献：
  名称：

  WO2007/104783

  摘要：

  公开号：
• 作为产物：
  描述：

  1-Isopentyl-4-methoxy-2-oxo-1,2-dihydropyridine-3-carbonitrile 在 吡啶 、 sodium hydroxide 、 水 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 为溶剂， 反应 1.5h， 生成 [3-Cyano-1-(3-methylbutyl)-2-oxopyridin-4-yl] trifluoromethanesulfonate
  参考文献：
  名称：

  WO2007/104783

  摘要：

  公开号：

文献信息

• 1,4 disubstituted 3 cyano pyridone derivatives and their use as positive allosteric modulators of mGluR2 receptors
  申请人：Janssen Pharmaceuticals, Inc.

  公开号：EP2426125B1

  公开（公告）日：2015-12-02
• 1, 4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS
  申请人：Imogai Hassan Julien

  公开号：US20100166655A1

  公开（公告）日：2010-07-01

  The present invention relates to novel compounds, in particular novel pyridinone derivatives according to Formula (I) wherein all radicals are defined in the application and claims. The compounds according to the invention are positive allosteric modulators of metabotropic receptors-subtype 2 (“mGluR2”) which are useful for the treatment or prevention of neurological and psychiatric disorders associated with glutamate dysfunction and diseases in which the mGluR2 subtype of metabotropic receptors is involved. In particular, such diseases are central nervous system disorders selected from the group of anxiety, schizophrenia, migraine, depression, and epilepsy. The invention is also directed to pharmaceutical compositions and processes to prepare such compounds and compositions, as well as to the use of such compounds for the prevention and treatment of such diseases in which mGluR2 is involved.
• 1, 4-Disubstituted 3-Cyano-Pyridone Derivatives and Their Use As Positive Allosteric Modulators of MGLUR2-Receptors
  申请人：JANSSEN PHARMACEUTICALS, INC.

  公开号：US20140315903A1

  公开（公告）日：2014-10-23

  The present invention relates to novel compounds, in particular novel pyridinone derivatives according to Formula (I) wherein all radicals are defined in the application and claims. The compounds according to the invention are positive allosteric modulators of metabotropic receptors—subtype 2 (“mGluR2”) which are useful for the treatment or prevention of neurological and psychiatric disorders associated with glutamate dysfunction and diseases in which the mGluR2 subtype of metabotropic receptors is involved. In particular, such diseases are central nervous system disorders selected from the group of anxiety, schizophrenia, migraine, depression, and epilepsy. The invention is also directed to pharmaceutical compositions and processes to prepare such compounds and compositions, as well as to the use of such compounds for the prevention and treatment of such diseases in which mGluR2 is involved.
• US8841323B2
  申请人：——

  公开号：US8841323B2

  公开（公告）日：2014-09-23
• US9266834B2
  申请人：——

  公开号：US9266834B2

  公开（公告）日：2016-02-23