6-[4-(4-Acetylphenyl)piperazin-1-yl]-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 | 220757-35-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 6-[4-(4-Acetylphenyl)piperazin-1-yl]-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: 220757-35-7
• 化学式: C₂₉H₂₅N₇O₂S
• 分子量: 535.629
• InChiKey: QDQDGLFQOUKCBQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  39
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  136
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  苄胺 、 6-[4-(4-Acetylphenyl)piperazin-1-yl]-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 以60%的产率得到6-[4-(4-Acetylphenyl)piperazin-1-yl]-11-(benzylamino)-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 四氢呋喃 、 乙醇 、 溶剂黄146 为溶剂， 反应 24.0h， 生成 6-[4-(4-Acetylphenyl)piperazin-1-yl]-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
  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

• Synthesis, antihistaminic and cytotoxic activity of pyridothieno- and pyridodithienotriazines
  作者：José Maria Quintela、Carlos Peinador、Mari Carmen Veiga、Luis M. Botana、Amparo Alfonso、Ricardo Riguera

  DOI：10.1016/s0223-5234(99)80013-0

  日期：1998.11

  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.