ethyl 1-(2,3-dihydro-1H-inden-5-yl)-7-((4-(4-methylpiperazin-1-yl)phenyl)amino)-4-oxo-1,4-dihydro-1,6-naphthyridine-3-carboxylate | 1028722-84-0

• 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: ethyl 1-(2,3-dihydro-1H-inden-5-yl)-7-((4-(4-methylpiperazin-1-yl)phenyl)amino)-4-oxo-1,4-dihydro-1,6-naphthyridine-3-carboxylate
• CAS: 1028722-84-0
• 化学式: C₃₁H₃₃N₅O₃
• 分子量: 523.635
• InChiKey: XMRZOYUMBOUYCB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.55
• 重原子数：
  39.0
• 可旋转键数：
  6.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  79.7
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  ethyl 1-(2,3-dihydro-1H-inden-5-yl)-7-((4-(4-methylpiperazin-1-yl)phenyl)amino)-4-oxo-1,4-dihydro-1,6-naphthyridine-3-carboxylate 在 氨 作用下， 以 甲醇 为溶剂， 以65%的产率得到1-indan-5-yl-7-[4-(4-methyl-piperazin-1-yl)-phenylamino]-4-oxo-1,4-dihydro-[1,6]naphthyridine-3-carboxylic acid amide
  参考文献：
  名称：

  Design and synthesis of a pyrido[2,3-d]pyrimidin-5-one class of anti-inflammatory FMS inhibitors

  摘要：

  A series of pyrimidinopyridones has been designed, synthesized and shown to be potent and selective inhibitors of the FMS tyrosine kinase. Introduction of an amide substituent at the 6-position of the pyridone core resulted in a significant potency increase. Compound 24 effectively inhibited in vivo LPS-induced TNF in mice greater than 80%. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.02.070
• 作为产物：
  描述：

  7-chloro-1-indan-5-yl-4-oxo-1,4-dihydro-[1,6]naphthyridine-3-carboxylic acid ethyl ester 、 4-(4-甲基哌嗪)苯胺 在 三乙胺 作用下， 以 N-甲基吡咯烷酮 为溶剂， 以18%的产率得到ethyl 1-(2,3-dihydro-1H-inden-5-yl)-7-((4-(4-methylpiperazin-1-yl)phenyl)amino)-4-oxo-1,4-dihydro-1,6-naphthyridine-3-carboxylate
  参考文献：
  名称：

  Design and synthesis of a pyrido[2,3-d]pyrimidin-5-one class of anti-inflammatory FMS inhibitors

  摘要：

  A series of pyrimidinopyridones has been designed, synthesized and shown to be potent and selective inhibitors of the FMS tyrosine kinase. Introduction of an amide substituent at the 6-position of the pyridone core resulted in a significant potency increase. Compound 24 effectively inhibited in vivo LPS-induced TNF in mice greater than 80%. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.02.070