N-(1-phenylethylideneamino)-5H-[1,2,4]triazino[5,6-b]indol-3-amine | 77307-77-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: N-(1-phenylethylideneamino)-5H-[1,2,4]triazino[5,6-b]indol-3-amine
• CAS: 77307-77-8
• 化学式: C₁₇H₁₄N₆
• 分子量: 302.338
• InChiKey: DPSGODHTBNHUMF-UHFFFAOYSA-N

物化性质

• 熔点：
  311 °C
• 沸点：
  556.5±42.0 °C(Predicted)
• 密度：
  1.37±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  78.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  5H-[1,2,4]噻嗪o[5,6-b]吲哚-3-硫醇 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 8.0h， 生成 N-(1-phenylethylideneamino)-5H-[1,2,4]triazino[5,6-b]indol-3-amine
  参考文献：
  名称：

  New 5H-1,2,4-triazino[5,6-b]indole and aminoindole derivatives. Synthesis and studies as inhibitors of blood platelet aggregation, anti-hypertensive agents and thromboxane synthetase inhibitors

  摘要：

  This paper reports the synthesis of a series of 5H-1,2,4-triazino[5,6-b]indole 3 and 4, and aminoindole 12-23, derivatives, obtained from isatin 1 and from oxoindole 5, respectively. All the new compounds were studied as antihypertensive agents in spontaneously hypertensive rats (SHR), and as inhibitors of platelet aggregation in guinea pig whole blood, induced by arachidonic acid (AA), adenosin-5'-diphosphate (ADP) or collagen. The most active antiaggregating compounds were also studied as thromboxane A2 synthetase inhibitors.

  DOI：

  10.1016/0223-5234(91)90027-k

文献信息

• New 5H-1,2,4-triazino[5,6-b]indole and aminoindole derivatives. Synthesis and studies as inhibitors of blood platelet aggregation, anti-hypertensive agents and thromboxane synthetase inhibitors
  作者：A Monge、J Palop、C Ramirez、M Font、E Fernandez-Alvarez

  DOI：10.1016/0223-5234(91)90027-k

  日期：1991.3

  This paper reports the synthesis of a series of 5H-1,2,4-triazino[5,6-b]indole 3 and 4, and aminoindole 12-23, derivatives, obtained from isatin 1 and from oxoindole 5, respectively. All the new compounds were studied as antihypertensive agents in spontaneously hypertensive rats (SHR), and as inhibitors of platelet aggregation in guinea pig whole blood, induced by arachidonic acid (AA), adenosin-5'-diphosphate (ADP) or collagen. The most active antiaggregating compounds were also studied as thromboxane A2 synthetase inhibitors.