N',N"-<6-<(3,4-dichlorophenyl)thio>-2,4-pteridinediyl>bis | 77912-81-3

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: N',N"-<6-<(3,4-dichlorophenyl)thio>-2,4-pteridinediyl>bis
• 英文别名: N',N"-{6-[(3,4-dichlorophenyl)thio]-2,4-pteridinediyl}bis(N,N-dimethylformamidine)；N'-[6-(3,4-dichlorophenyl)sulfanyl-2-(dimethylaminomethylideneamino)pteridin-4-yl]-N,N-dimethylmethanimidamide
• CAS: 77912-81-3
• 化学式: C₁₈H₁₈Cl₂N₈S
• 分子量: 449.367
• InChiKey: PNQCEOXWZYHHGF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.32
• 重原子数：
  29.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  82.76
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  2,4-diamino-6-chloropteridine 以 N,N-二甲基甲酰胺 为溶剂， 反应 20.33h， 生成 N',N"-<6-<(3,4-dichlorophenyl)thio>-2,4-pteridinediyl>bis
  参考文献：
  名称：

  Antimalarial drugs. 50. Folate antagonists. 19. Synthesis and antimalarial effects of 6-(arylthio)-2,4-pteridinediamines

  摘要：

  A series of 6-(arylthio)-2,4-pteridinediamines (IIIa) was prepared by allowing 6-chloro-2,4-pteridinediamine to react with the requisite benzenethiols in dimethyl sulfone at 190-200 degrees C. Attempts at oxidation to the corresponding sulfoxide (IIIb) or sulfone (IIIc) were unsuccessful. The compounds exhibited a spectrum of antibacterial activity similar to, but below the potency of, the related quinazolinediamines and pteridinediamines. Unlike these related types, however, they were devoid of antimalarial activity when tested against a normal drug-sensitive strain of Plasmodium berghei in mice by the parenteral route.

  DOI：

  10.1021/jm00140a017