4-Chloro-7-ethoxy-9-phenyl-pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazine-8-carbonitrile | 161893-32-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 4-Chloro-7-ethoxy-9-phenyl-pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazine-8-carbonitrile
• 英文别名: 6-Chloro-11-ethoxy-13-phenyl-8-thia-3,4,5,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-12-carbonitrile
• CAS: 161893-32-9
• 化学式: C₁₇H₁₀ClN₅OS
• 分子量: 367.818
• InChiKey: KNWPXOSSLVGAAD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  113
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  4-Chloro-7-ethoxy-9-phenyl-pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazine-8-carbonitrile 在 一水合肼 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 8.0h， 以80%的产率得到11-Ethoxy-6-hydrazinyl-13-phenyl-8-thia-3,4,5,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-12-carbonitrile
  参考文献：
  名称：

  Synthesis, antihistaminic and cytotoxic activity of pyridothieno- and pyridodithienotriazines

  摘要：

  The synthesis of pyrido[3',2':4,5]thieno[3,2-d]-1,2,3-triazines 7a-n and 8a-c and pyrido[3',2':4,5]dithieno[3,2-d]-1,2,3-triazines 15 and 16a-c, and their inhibitory action on the release of histamine from rat mast cells under immunological and chemical stimulus are presented. Compounds 7b and 16a are strong inhibitors under all the conditions tested while 16c is a good inhibitor in all conditions except when it is preincubated with ovoalbumin. Compounds 7k, 7m and 7n are good inhibitors in the immunological experiments but are practically inactive under chemical stimulus. Compounds 6a and 15 show in vitro cytotoxic activity against several human and mouse tumoral cell lines with IC50 values well under 1 mg/mL. (C) Elsevier, Paris.

  DOI：

  10.1016/s0223-5234(99)80013-0
• 作为产物：
  描述：

  3-Amino-6-ethoxy-4-phenylthieno[2,3-b]pyridine-2,5-dicarbonitrile 在 盐酸 、 sodium nitrite 作用下， 以 溶剂黄146 为溶剂， 反应 24.0h， 以86%的产率得到4-Chloro-7-ethoxy-9-phenyl-pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazine-8-carbonitrile
  参考文献：
  名称：

  Synthesis, antihistaminic and cytotoxic activity of pyridothieno- and pyridodithienotriazines

  摘要：

  The synthesis of pyrido[3',2':4,5]thieno[3,2-d]-1,2,3-triazines 7a-n and 8a-c and pyrido[3',2':4,5]dithieno[3,2-d]-1,2,3-triazines 15 and 16a-c, and their inhibitory action on the release of histamine from rat mast cells under immunological and chemical stimulus are presented. Compounds 7b and 16a are strong inhibitors under all the conditions tested while 16c is a good inhibitor in all conditions except when it is preincubated with ovoalbumin. Compounds 7k, 7m and 7n are good inhibitors in the immunological experiments but are practically inactive under chemical stimulus. Compounds 6a and 15 show in vitro cytotoxic activity against several human and mouse tumoral cell lines with IC50 values well under 1 mg/mL. (C) Elsevier, Paris.

  DOI：

  10.1016/s0223-5234(99)80013-0

文献信息

• Peinador, Carlos; Veiga, M. Carmen; Ojea, Vicente, Heterocycles, 1995, vol. 41, # 1, p. 37 - 46
  作者：Peinador, Carlos、Veiga, M. Carmen、Ojea, Vicente、Quintela, Jose M.

  DOI：——

  日期：——