1-(3-amino-4-(4-methoxyphenyl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-yl)(phenyl)methanone | 1217538-98-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(3-amino-4-(4-methoxyphenyl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-yl)(phenyl)methanone
• 英文别名: [3-Amino-4-(4-methoxyphenyl)-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl]-phenylmethanone
• CAS: 1217538-98-1
• 化学式: C₂₆H₁₉N₃O₂S
• 分子量: 437.522
• InChiKey: FNQQEVBHWJURHY-UHFFFAOYSA-N

物化性质

• 熔点：
  206 °C(Solvent: 1,4-Dioxane)
• 沸点：
  718.8±60.0 °C(predicted)
• 密度：
  1.308±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  32
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  106
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  6-[(2-oxo-2-phenylethyl)thio]-4-(4-methoxyphenyl)-2,3'-bipyridine-5-carbonitrile 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 反应 0.5h， 生成 1-(3-amino-4-(4-methoxyphenyl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-yl)(phenyl)methanone
  参考文献：
  名称：

  Anti-Alzheimer and Anti-Cox-2 Activities of the Newly Synthesized 2,3′-Bipyridine Derivatives (I)

  摘要：

  3-Aryl-1-pyridin-3-ylprop-2-en-1-ones 1a, b reacted with 2-cyanoethane-thioamide (2) to afford the corresponding 4-aryl-6-thioxo-1,6-dihydro-2,3'-bipyridine-5-carbonitriles 6a, b. The synthetic potentiality of compounds 6a, b were investigated in the present study via their reactions with several active-hydrogen containing compounds 8a-g aiming to synthesize 4-aryl6- pyridin-3-ylthieno[2,3-b] pyridin-3-amines 10a-n via 6-(alkylthio)-4-aryl-2,3'-bipyridine-5- carbonitriles 9a-n. The structures of all newly synthesized heterocyclic compounds were elucidated by considering the data of IR, (1)H NMR, and mass spectra, as well as that of elemental analyses. Anti-Alzheimer and anti-COX-2 activities for all newly synthesized heterocyclic compounds were investigated.

  DOI：

  10.1080/10426500902717333

文献信息

• Anti-Alzheimer and Anti-Cox-2 Activities of the Newly Synthesized 2,3′-Bipyridine Derivatives (I)
  作者：Fawzy A. Attaby、Azza M. Abdel-Fattah、Labeeb M. Shaif、Mohamed M. Elsayed

  DOI：10.1080/10426500902717333

  日期：2009.12.29

  3-Aryl-1-pyridin-3-ylprop-2-en-1-ones 1a, b reacted with 2-cyanoethane-thioamide (2) to afford the corresponding 4-aryl-6-thioxo-1,6-dihydro-2,3'-bipyridine-5-carbonitriles 6a, b. The synthetic potentiality of compounds 6a, b were investigated in the present study via their reactions with several active-hydrogen containing compounds 8a-g aiming to synthesize 4-aryl6- pyridin-3-ylthieno[2,3-b] pyridin-3-amines 10a-n via 6-(alkylthio)-4-aryl-2,3'-bipyridine-5- carbonitriles 9a-n. The structures of all newly synthesized heterocyclic compounds were elucidated by considering the data of IR, (1)H NMR, and mass spectra, as well as that of elemental analyses. Anti-Alzheimer and anti-COX-2 activities for all newly synthesized heterocyclic compounds were investigated.