N-(2,4-Dimethyl-phenyl)-N'-(4-oxo-3,4,5,6,7,8-hexahydro-quinazolin-2-yl)-guanidine

• 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: N-(2,4-Dimethyl-phenyl)-N'-(4-oxo-3,4,5,6,7,8-hexahydro-quinazolin-2-yl)-guanidine
• 英文别名: 1-(2,4-Dimethylphenyl)-3-(4-oxo-1,4,5,6,7,8-hexahydroquinazolin-2-yl)guanidine；1-(2,4-dimethylphenyl)-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)guanidine
• 化学式: C₁₇H₂₁N₅O
• 分子量: 311.387
• InChiKey: DZIKJVDXVZRTIT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  91.9
• 氢给体数：
  3
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  N-(2,4-Dimethyl-phenyl)-N'-(4-oxo-3,4,5,6,7,8-hexahydro-quinazolin-2-yl)-guanidine 、 对甲氧基苯甲酰氯 在 吡啶 作用下， 以 N,N-二甲基乙酰胺 为溶剂， 以64%的产率得到N-(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)-N''-(4-methoxybenzoyl)-N'-(2,4-dimethylphenyl)-guanidine
  参考文献：
  名称：

  Arylbiguanides in Heterocyclization Reactions

  摘要：

  芳基双胍与乙酰丙酮衍生物反应得到N-(嘧啶-2-基)-N'-芳基胍，与乙酰乙酸酯衍生物(取决于酮酯的结构)、N-芳基-N'反应-(4-氧代-3,4-二氢嘧啶-2-基)胍或2-氨基-4-芳基氨基-6-芳基(杂基)-硫酰亚甲基-1,3,5-三嗪。通过与酸酐、酰卤和芳基异氰酸酯反应形成的N-芳基-N'-杂基胍产生相应的三氮杂衍生物。

  DOI：

  10.1007/s11176-005-0218-x

文献信息

• [EN] PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING MALARIA, CONTAINING COMPOUNDS THAT INHIBIT PLASMEPSIN II ACTIVITY, AND METHOD OF TREATING MALARIA USING THE SAME<br/>[FR] COMPOSITION PHARMACEUTIQUE POUR PRÉVENIR ET TRAITER LE PALUDISME, CONTENANT DES COMPOSÉS QUI INHIBENT L'ACTIVITÉ DE LA PLASMEPSINE II ET MÉTHODE DE TRAITEMENT DU PALUDISME À L'AIDE DE LADITE COMPOSITION
  申请人：UNIV NAT CHONNAM IND FOUND

  公开号：WO2009131384A2

  公开（公告）日：2009-10-29

  A pharmaceutical composition containing a compound that binds to active sites of plasmepsin II to inhibit activity, and a method of preventing and treating malaria, including administering an effective dose of the pharmaceutical composition to a mammal. The pharmaceutical composition of the invention contains at least one compound selected from the group consisting of an N- alkoxyamidine derivative, a guanidine derivative, an amide derivative, a urea or thiourea derivative, and N- (2-[3-(l,3 -benzodioxol- 5 -yl) - 3 -oxo- 1 -propene- 1 -yl] amino } phenyl)-4-nitrobenzene sul¬ fonamide. The compound contained in the pharmaceutical composition is used to prevent and treat malaria since it binds to active sites of plasmepsin II to inhibit activity. The compound is effective to malaria that is resistant to existing anti-malarial drugs.