1-(2-Amino-3-benzoyl-4,7-dihydro-5H-thieno[2,3-c]pyridin-6-yl)-ethanone | 57226-74-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(2-Amino-3-benzoyl-4,7-dihydro-5H-thieno[2,3-c]pyridin-6-yl)-ethanone
• CAS: 57226-74-1
• 化学式: C₁₆H₁₆N₂O₂S
• 分子量: 300.381
• InChiKey: KTTDAEAKWSQZGY-UHFFFAOYSA-N

物化性质

• 沸点：
  603.7±55.0 °C(predicted)
• 密度：
  1.314±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.47
• 重原子数：
  21.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  63.4
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  1-(2-Amino-3-benzoyl-4,7-dihydro-5H-thieno[2,3-c]pyridin-6-yl)-ethanone 、 alkaline earth salt of/the/ methylsulfuric acid 在 吡啶 作用下， 生成 Cyclopropanecarboxylic acid (6-acetyl-3-benzoyl-4,5,6,7-tetrahydro-thieno[2,3-c]pyridin-2-yl)-amide
  参考文献：
  名称：

  Synthesis and bioactivities of novel 4,5,6,7-Tetrahydrothieno[2,3-c]pyridines as inhibitors of tumor necrosis factor-α (TNF-α) production

  摘要：

  Novel 4,5,6,7-tetraliydrothieno[2,3-c]pyridine derivatives were synthesized and evaluated for their abilities to inhibit lipopolysaccharide (LPS)-stimulated production of TNF-alpha in rat whole blood. Several of these compounds exhibited potent inhibitory activity. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00228-7
• 作为产物：
  描述：

  N-乙酰基-4-哌啶酮 、 苯甲酰乙腈 在 sulfur 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 1-(2-Amino-3-benzoyl-4,7-dihydro-5H-thieno[2,3-c]pyridin-6-yl)-ethanone
  参考文献：
  名称：

  Synthesis and bioactivities of novel 4,5,6,7-Tetrahydrothieno[2,3-c]pyridines as inhibitors of tumor necrosis factor-α (TNF-α) production

  摘要：

  Novel 4,5,6,7-tetraliydrothieno[2,3-c]pyridine derivatives were synthesized and evaluated for their abilities to inhibit lipopolysaccharide (LPS)-stimulated production of TNF-alpha in rat whole blood. Several of these compounds exhibited potent inhibitory activity. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00228-7