ethyl 8-(2,3-dihydro-1H-inden-5-yl)-2-((4-(2-(dimethylamino)ethyl)phenyl)amino)-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate | 1027356-81-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶并嘧啶类
• 英文名称: ethyl 8-(2,3-dihydro-1H-inden-5-yl)-2-((4-(2-(dimethylamino)ethyl)phenyl)amino)-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
• CAS: 1027356-81-5
• 化学式: C₂₉H₃₁N₅O₃
• 分子量: 497.597
• InChiKey: WKEHVGKKUPQJIB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.29
• 重原子数：
  37.0
• 可旋转键数：
  8.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  89.35
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  ethyl 8-(2,3-dihydro-1H-inden-5-yl)-2-((4-(2-(dimethylamino)ethyl)phenyl)amino)-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate 在 氨 作用下， 以 甲醇 为溶剂， 生成 2-[4-(2-dimethylamino-ethyl)-phenylamino]-8-indan-5-yl-5-oxo-5,8-dihydro-pyrido[2,3-d]pyrimidine-6-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：

  8-indan-5-yl-2-methanesulfonyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid ethyl ester 、 4-(2-二甲基氨基乙基)-苯胺 以 异丙醇 为溶剂， 生成 ethyl 8-(2,3-dihydro-1H-inden-5-yl)-2-((4-(2-(dimethylamino)ethyl)phenyl)amino)-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-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