5-Methoxy-13-phenyl-14-thia-9,11,12,16-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,16-heptaene | 1234568-17-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 5-Methoxy-13-phenyl-14-thia-9,11,12,16-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,16-heptaene
• CAS: 1234568-17-2
• 化学式: C₁₉H₁₄N₄OS
• 分子量: 346.412
• InChiKey: RYEDIVDYXKBJEK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  75.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  在 potassium carbonate 作用下， 以 乙醇 为溶剂， 以79%的产率得到5-Methoxy-13-phenyl-14-thia-9,11,12,16-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,16-heptaene
  参考文献：
  名称：

  Synthesis, DNA Binding, and Antimicrobial Activity of Base-Catalyzed 2-Phenyl-3-pyrido[3,2][1,3,4]thiadiazolo [3,2]quinoline Derivatives

  摘要：

  A series of novel 3-{[(5-phenyl-1,3,4-thiadiazol-2-yl)imino] methyl}quinoline-2-thione (2a-c) and 2-phenyl-3-pyrido[3,2][1,3,4]thiadiazolo[3,2]quinoline derivatives (3a-c) were prepared by a facile synthetic method using an anhydrous potassium carbonate catalyst. The newly synthesized heterocyles were characterized by elemental analysis, FT-IR, H-1-NMR, and mass spectral data. The selected compounds were studied for interaction with calf thymus-DNA(CT-DNA) by electronic spectra and viscosity measurements, as well as thermal denaturation studies. Upon binding to DNA, the absorption spectrum underwent bathochromic and hypochromic shifts. The binding constant (K-b) observed value of 8.4 x 10(5) M-1 for (2a) and 8.2 x 10(5) M-1 for (3a) suggested that compound (2a) binds more avidly to CT-DNA than compound (3a). The increasing viscosity of sonicated rod-like DNA fragments and the melting temperature of DNA, in the presence of compound solutions, support the binding mode. The synthesized derivatives have been screened for antibacterial and antifungal activities.

  DOI：

  10.1080/10426500802705354