5-cyano-N-methylpyridone | 63486-97-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 5-cyano-N-methylpyridone
• 英文别名: N-Methyl-6-cyanpyridon-(2)；2-Cyano-1-methyl-6-pyridon；1-methyl-6-oxo-1,6-dihydro-pyridine-2-carbonitrile；1-Methyl-6-oxo-1,6-dihydropyridine-2-carbonitrile；1-methyl-6-oxopyridine-2-carbonitrile
• CAS: 63486-97-5
• 化学式: C₇H₆N₂O
• 分子量: 134.137
• InChiKey: WUOWHLOESNJUPI-UHFFFAOYSA-N

物化性质

• 熔点：
  111-113 °C(Solv: hexane (110-54-3))
• 沸点：
  299.7±29.0 °C(Predicted)
• 密度：
  1.22±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  44.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  6-甲氧基-2-吡啶甲腈 在 吡啶 作用下， 以 氘代二甲亚砜 、 二氯甲烷 为溶剂， 反应 18.0h， 生成 5-cyano-N-methylpyridone
  参考文献：
  名称：

  Kinetic Assessment of N-Methyl-2-methoxypyridinium Species as Phosphonate Anion Methylating Agents

  摘要：

  Organophosphate nerve agents and pesticides are potent inhibitors of acetylcholinesterase (AChE). Although oxime nucleophiles can reactivate the AChE-phosphyl adduct, the adduct undergoes a reaction called aging. No compounds have been described that reactivate the aged-AChE adduct. A family of 2-methoxypyridinium species which reverse aging in a model system is presented. A kinetic study of this system, which includes an SAR analysis, demonstrates that the reaction is highly tunable based on the ring substituents.

  DOI：

  10.1021/ol400054m

文献信息

• WEBER H., ARCH. PHARM. <APBD-AJ>, 1977, 310, NO 3, 222-230
  作者：WEBER H.

  DOI：——

  日期：——
• PYRIDIN-2(1H)-ONE QUINOLINONE DERIVATIVES AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS
  申请人：Forma Therapeutics, Inc.

  公开号：EP3194376A1

  公开（公告）日：2017-07-26
• [EN] PYRIDIN-2(1H)-ONE QUINOLINONE DERIVATIVES AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS<br/>[FR] DÉRIVÉS DE PYRIDIN-2-(1H)-ONE-QUINOLINONE À TITRE D'INHIBITEURS D'ISOCITRATE DÉSHYDROGÉNASE MUTANTE
  申请人：FORMA THERAPEUTICS INC

  公开号：WO2016044789A1

  公开（公告）日：2016-03-24

  The invention relates to inhibitors of mutant isocitrate dehydrogenase (mt-IDH) proteins with neomorphic activity useful in the treatment of cell-proliferation disorders and cancers, having the Formula: (I) where A, U, W1, W2, W3, R1-R6, and R9 are described herein.
• Kinetic Assessment of <i>N</i>-Methyl-2-methoxypyridinium Species as Phosphonate Anion Methylating Agents
  作者：Joseph J. Topczewski、Daniel M. Quinn

  DOI：10.1021/ol400054m

  日期：2013.3.1

  Organophosphate nerve agents and pesticides are potent inhibitors of acetylcholinesterase (AChE). Although oxime nucleophiles can reactivate the AChE-phosphyl adduct, the adduct undergoes a reaction called aging. No compounds have been described that reactivate the aged-AChE adduct. A family of 2-methoxypyridinium species which reverse aging in a model system is presented. A kinetic study of this system, which includes an SAR analysis, demonstrates that the reaction is highly tunable based on the ring substituents.