1,3-dimethyllumazine-6-carboxylic acid (4-(4-hydroxybenzoylamino)butyl)amide | 857263-09-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 蝶啶及其衍生物
• 英文名称: 1,3-dimethyllumazine-6-carboxylic acid (4-(4-hydroxybenzoylamino)butyl)amide
• 英文别名: N-[4-[(4-hydroxybenzoyl)amino]butyl]-1,3-dimethyl-2,4-dioxopteridine-6-carboxamide
• CAS: 857263-09-3
• 化学式: C₂₀H₂₂N₆O₅
• 分子量: 426.432
• InChiKey: QXOKPMKQWBHORG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  145
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  1,3-dimethyllumazine-6-carboxylic acid (4-(4-hydroxybenzoylamino)butyl)amide 在 ammonium hydroxide 作用下， 以44%的产率得到3-methylaminopyrazine-2,6-dicarboxylic acid 6-((4-(4-hydroxybenzoylamino)butyl)amide)-2-methylamide
  参考文献：
  名称：

  1,3-Dimethyllumazine Derivatives from Limnatis nilotica

  摘要：

  Two previously unknown lumazine derivatives, 1 and 2, have been isolated from the parasitic freshwater leech Limnatis nilotica. The structures of the compounds have been elucidated by NMR and unambiguously corroborated by chemical synthesis.

  DOI：

  10.1021/np049617a
• 作为产物：
  描述：

  1-N-(4-hydroxybenzoyl)-1,4-diaminobutane hydrochloride 、 1,3-dimethyllumazine-6-carboxylic acid 在 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 以56%的产率得到1,3-dimethyllumazine-6-carboxylic acid (4-(4-hydroxybenzoylamino)butyl)amide
  参考文献：
  名称：

  1,3-Dimethyllumazine Derivatives from Limnatis nilotica

  摘要：

  Two previously unknown lumazine derivatives, 1 and 2, have been isolated from the parasitic freshwater leech Limnatis nilotica. The structures of the compounds have been elucidated by NMR and unambiguously corroborated by chemical synthesis.

  DOI：

  10.1021/np049617a

文献信息

• 1,3-Dimethyllumazine Derivatives from <i>Limnatis </i><i>n</i><i>ilotica</i>
  作者：Gerard Voerman、Silvia Cavalli、Gijsbert A. van der Marel、Wolfgang Pfleiderer、Jacques H. van Boom、Dmitri V. Filippov

  DOI：10.1021/np049617a

  日期：2005.6.1

  Two previously unknown lumazine derivatives, 1 and 2, have been isolated from the parasitic freshwater leech Limnatis nilotica. The structures of the compounds have been elucidated by NMR and unambiguously corroborated by chemical synthesis.