6-fluoro-4-(4-(phenylsulfonyl)phenylamino)-1,7-naphthyridine-3-carbonitrile | 871306-95-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 6-fluoro-4-(4-(phenylsulfonyl)phenylamino)-1,7-naphthyridine-3-carbonitrile
• CAS: 871306-95-5
• 化学式: C₂₁H₁₃FN₄O₂S
• 分子量: 404.424
• InChiKey: QUDFPEAQMLFRPS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.22
• 重原子数：
  29.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  95.74
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  6-fluoro-4-(4-(phenylsulfonyl)phenylamino)-1,7-naphthyridine-3-carbonitrile 、 N-(2-氨基乙基)吗啉 以 四氢呋喃 为溶剂， 生成 6-(2-morpholinoethylamino)-4-(4-(phenylsulfonyl)phenylamino)-1,7-naphthyridine-3-carbonitrile
  参考文献：
  名称：

  Inhibition of Tpl2 kinase and TNF-α production with 1,7-naphthyridine-3-carbonitriles: Synthesis and structure–activity relationships

  摘要：

  The synthesis and structure-activity studies of a series of 6-substituted-4-anilino-[1,7]-naphthyridine-3-carbonitriles as inhibitors of Tpl2 kinase are described. The early exploratory work described here may lead to the discovery of compounds with significant therapeutic potential for treating rheumatoid arthritis and other inflammatory diseases. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.08.029
• 作为产物：
  描述：

  4-(苯基磺酰基)苯胺 、 4-氯-6-氟-1,7-萘啶-3-甲腈 以 乙二醇乙醚 为溶剂， 生成 6-fluoro-4-(4-(phenylsulfonyl)phenylamino)-1,7-naphthyridine-3-carbonitrile
  参考文献：
  名称：

  Inhibition of Tpl2 kinase and TNF-α production with 1,7-naphthyridine-3-carbonitriles: Synthesis and structure–activity relationships

  摘要：

  The synthesis and structure-activity studies of a series of 6-substituted-4-anilino-[1,7]-naphthyridine-3-carbonitriles as inhibitors of Tpl2 kinase are described. The early exploratory work described here may lead to the discovery of compounds with significant therapeutic potential for treating rheumatoid arthritis and other inflammatory diseases. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.08.029