4-(4-(4-chloro-3-methylphenyl)-1-oxophthalazin-2(1H)-yl)-N-(cyclohexylcarbamothioyl)benzenesulfonamide | 1610691-25-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 4-(4-(4-chloro-3-methylphenyl)-1-oxophthalazin-2(1H)-yl)-N-(cyclohexylcarbamothioyl)benzenesulfonamide
• CAS: 1610691-25-2
• 化学式: C₂₈H₂₇ClN₄O₃S₂
• 分子量: 567.132
• InChiKey: PVDJAKAAFAJUMS-UHFFFAOYSA-N

物化性质

• 熔点：
  214-216 °C
• 沸点：
  731.5±70.0 °C(predicted)
• 密度：
  1.41±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  38.0
• 可旋转键数：
  5.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  93.09
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  苯酐 在 aluminum (III) chloride 、 potassium carbonate 作用下， 以 丙酮 为溶剂， 生成 4-(4-(4-chloro-3-methylphenyl)-1-oxophthalazin-2(1H)-yl)-N-(cyclohexylcarbamothioyl)benzenesulfonamide
  参考文献：
  名称：

  Synthesis and blood glucose lowering activity of some novel benzenesulfonylthiourea derivatives substituted with 4-aryl-1-oxophthalazin-2(1H)yl-ones

  摘要：

  Some new benzenesulfonylthiourea derivatives substituted with phthalazones (2a-q) were synthesized by refluxing the appropriate 4-aryl-1-oxophthalazin-2(1H)yl benzenesulfonamides with isothiocyanate in dry acetone over anhydrous K2CO3. All the synthesized compounds were characterized on the basis of IR, H-1 NMR, MS data and elemental analysis. These synthesized compounds (2a-q) at the dose of 20 mg/kg were tested for antihyperglycemic activity in the glucose-fed hyperglycemic normal rat model and among these compounds 2f and 2m showed modest antihyperglycemic activity.

  DOI：

  10.3109/14756366.2013.782300