N-(2-hydroxy-1-(pyridin-2-yl)ethyl)octanamide | 532987-08-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: N-(2-hydroxy-1-(pyridin-2-yl)ethyl)octanamide
• 英文别名: N-(2-hydroxy-1-pyridin-2-ylethyl)octanamide
• CAS: 532987-08-9
• 化学式: C₁₅H₂₄N₂O₂
• 分子量: 264.368
• InChiKey: RQGCCRXUNHAFDR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.59
• 重原子数：
  19.0
• 可旋转键数：
  9.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  62.22
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  N-(2-hydroxy-1-(pyridin-2-yl)ethyl)octanamide 在 palladium on activated charcoal 正丁基锂 、 氢气 作用下， 以 四氢呋喃 、 甲醇 、 正己烷 为溶剂， 反应 3.0h， 生成 2-octanoylamino-2-(pyridin-2-yl)ethyl dihydrogen phosphate
  参考文献：
  名称：

  Highly potent inhibitors of TNF-α production. Part I

  摘要：

  Discovery of new chemical leads of inhibitors for TNF-alpha production starting from the chemical modification of I is reported. Further biological studies of 1 to disclose the site of its action strongly suggested that 1 inhibits LPS-induced TNF-alpha expression in the liver and spleen of mice. Structure-activity relationships (SARs) are also discussed and full details including the chemistry are reported. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(02)00381-4
• 作为产物：
  描述：

  ethyl 2-octanoylamino-2-(pyridin-2-yl)acetate 在 锂硼氢 作用下， 以 四氢呋喃 为溶剂， 反应 20.0h， 以46%的产率得到N-(2-hydroxy-1-(pyridin-2-yl)ethyl)octanamide
  参考文献：
  名称：

  Highly potent inhibitors of TNF-α production. Part I

  摘要：

  Discovery of new chemical leads of inhibitors for TNF-alpha production starting from the chemical modification of I is reported. Further biological studies of 1 to disclose the site of its action strongly suggested that 1 inhibits LPS-induced TNF-alpha expression in the liver and spleen of mice. Structure-activity relationships (SARs) are also discussed and full details including the chemistry are reported. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(02)00381-4