2-(benzylthio)-9-(4-(dimethylamino)phenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one

• 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: 2-(benzylthio)-9-(4-(dimethylamino)phenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
• 英文别名: 2-benzylsulfanyl-9-[4-(dimethylamino)phenyl]-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
• 化学式: C₂₄H₂₅N₅OS
• 分子量: 431.561
• InChiKey: UESIRWSWULFLLG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  88.4
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  溴甲苯 在 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.25h， 生成 2-(benzylthio)-9-(4-(dimethylamino)phenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
  参考文献：
  名称：

  Synthesis and Evaluation of 1,2,4-Triazolo[1,5-a]pyrimidines as Antibacterial Agents Against Enterococcus faecium

  摘要：

  Rapid emergence of antibiotic resistance is one of the, most Challenging global public health concerns. In particular; vancomycin-resistant Enterococcus faecium infections have been increasing in frequency, representing 25% of enterococci infections in intensive care units. A novel class of 1,2,4-triazolo[1,5-a]pyrimidines active against E. faecium is reported herein We used a three component Biginelli-like heterocyclization reaction for the synthesis of a series of these derivatives based on reactions of aldehydes, beta-dicarbonyl compounds, and 3-alkylthio-5-amino-1,2,4-triazoles. The resulting compounds were assayed for,antimicrobial activity against the ESKAPE panel of bacteria, followed by investigation of their in vitro activities. These analyses identified :a subset of 1,2,4-triazolo[1,5-a]pyrimidines that had good narrow spectrum antibacterial activity against E faecium and exhibited metabolic stability with low intrinsic clearance. Macromolecular synthesis assays revealed cell-wall biosynthesis as the target of these antibiotics.

  DOI：

  10.1021/jm501831g