N-(4-chlorophenyl)-N'-<4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl>imidodicarbonimidic diamide | 110045-63-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-(4-chlorophenyl)-N'-<4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl>imidodicarbonimidic diamide
• 英文别名: 1-[p-Chlorophenyl]-5-[4,6-bis[trichloromethyl]-S-triazin-2-yl-guanylguanidine；(1E)-1-[amino-(4-chloroanilino)methylidene]-2-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]guanidine
• CAS: 110045-63-1
• 化学式: C₁₃H₉Cl₇N₈
• 分子量: 525.439
• InChiKey: NBVUDXPWYYVQFO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  128
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-氯-4,6-二(三氯甲基)-1,3,5-三嗪 、 1-(4-氯苯基)双胍 以 乙腈 为溶剂， 反应 3.0h， 以15%的产率得到N-(4-chlorophenyl)-N'-<4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl>imidodicarbonimidic diamide
  参考文献：
  名称：

  Antimalarial activity of 2-(substituted amino)-4,6-bis(trichloromethyl)-1,3,5-triazines and N-(chlorophenyl)-N'-[4-(substituted amino)-6-(trichloromethyl)-1,3,5-triazin-2-yl]guanidines

  摘要：

  A series of 2-[[(dialkylamino)alkyl]amino]-4,6-bis(trichloromethyl)-1,3,5-triazines (III) and N-(4-chlorophenyl)-N'-[4-[[(dialkylamino)alkyl]amino]-6- (trichloromethyl)-1,3,5-triazin-2-yl]guanidines (IV) were prepared from 2,4,6-tris(trichloromethyl)-1,3,5-triazine and 2-chloro-4,6-bis(trichloromethyl)-1,3,5-triazine. Compounds of type III showed modest antimalarial activity while XIa with the camoquin side chain was more potent. Analogues of type IV broadly exhibited modest antimalarial activity.

  DOI：

  10.1021/jm00394a002

文献信息

• Antimalarial activity of 2-(substituted amino)-4,6-bis(trichloromethyl)-1,3,5-triazines and N-(chlorophenyl)-N'-[4-(substituted amino)-6-(trichloromethyl)-1,3,5-triazin-2-yl]guanidines
  作者：Leslie M. Werbel、Edward F. Elslager、Carolyn Hess、Marland P. Hutt

  DOI：10.1021/jm00394a002

  日期：1987.11

  A series of 2-[[(dialkylamino)alkyl]amino]-4,6-bis(trichloromethyl)-1,3,5-triazines (III) and N-(4-chlorophenyl)-N'-[4-[[(dialkylamino)alkyl]amino]-6- (trichloromethyl)-1,3,5-triazin-2-yl]guanidines (IV) were prepared from 2,4,6-tris(trichloromethyl)-1,3,5-triazine and 2-chloro-4,6-bis(trichloromethyl)-1,3,5-triazine. Compounds of type III showed modest antimalarial activity while XIa with the camoquin side chain was more potent. Analogues of type IV broadly exhibited modest antimalarial activity.