3-Methoxy-4-pyridinecarbonyl chloride | 1259793-27-5

• 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: 3-Methoxy-4-pyridinecarbonyl chloride
• 英文别名: 3-methoxypyridine-4-carbonyl chloride
• CAS: 1259793-27-5
• 化学式: C₇H₆ClNO₂
• 分子量: 171.583
• InChiKey: ZFQMADLVJLXHDH-UHFFFAOYSA-N

物化性质

• 沸点：
  283.8±20.0 °C(Predicted)
• 密度：
  1.289±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  39.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-Methoxy-4-pyridinecarbonyl chloride 在 sodium tetrahydroborate 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 、 乙腈 为溶剂， 反应 11.0h， 生成
  参考文献：
  名称：

  Potent and selective inhibitors of the TASK-1 potassium channel through chemical optimization of a bis-amide scaffold

  摘要：

  TASK-1 is a two-pore domain potassium channel that is important to modulating cell excitability, most notably in the context of neuronal pathways. In order to leverage TASK-1 for therapeutic benefit, its physiological role needs better characterization; however, designing selective inhibitors that avoid the closely related TASK-3 channel has been challenging. In this study, a series of bis-amide derived compounds were found to demonstrate improved TASK-1 selectivity over TASK-3 compared to reported inhibitors. Optimization of a marginally selective hit led to analog 35 which displays a TASK-1 IC50=16 nM with 62-fold selectivity over TASK-3 in an orthogonal electrophysiology assay.

  DOI：

  10.1016/j.bmcl.2014.06.032

文献信息

• Potent and selective inhibitors of the TASK-1 potassium channel through chemical optimization of a bis-amide scaffold
  作者：Daniel P. Flaherty、Denise S. Simpson、Melissa Miller、Brooks E. Maki、Beiyan Zou、Jie Shi、Meng Wu、Owen B. McManus、Jeffrey Aubé、Min Li、Jennifer E. Golden

  DOI：10.1016/j.bmcl.2014.06.032

  日期：2014.8

  TASK-1 is a two-pore domain potassium channel that is important to modulating cell excitability, most notably in the context of neuronal pathways. In order to leverage TASK-1 for therapeutic benefit, its physiological role needs better characterization; however, designing selective inhibitors that avoid the closely related TASK-3 channel has been challenging. In this study, a series of bis-amide derived compounds were found to demonstrate improved TASK-1 selectivity over TASK-3 compared to reported inhibitors. Optimization of a marginally selective hit led to analog 35 which displays a TASK-1 IC50=16 nM with 62-fold selectivity over TASK-3 in an orthogonal electrophysiology assay.