N-(4-Methoxy-phenyl)-3a,4,5,6-tetrahydro-1H,3H-benzo[de]isoquinoline-2-carboxamidine | 81585-09-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: N-(4-Methoxy-phenyl)-3a,4,5,6-tetrahydro-1H,3H-benzo[de]isoquinoline-2-carboxamidine
• 英文别名: N'-(4-methoxyphenyl)-1,3,3a,4,5,6-hexahydrobenzo[de]isoquinoline-2-carboximidamide
• CAS: 81585-09-3
• 化学式: C₂₀H₂₃N₃O
• 分子量: 321.422
• InChiKey: NCISOYRMGKUTFG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  50.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2,3-二氢-1H-苯并(去)异喹啉盐酸盐 在 氨 、 sodium 作用下， 以 甲苯 为溶剂， 反应 3.0h， 生成 N-(4-Methoxy-phenyl)-3a,4,5,6-tetrahydro-1H,3H-benzo[de]isoquinoline-2-carboxamidine
  参考文献：
  名称：

  Inhibitors of blood platelet aggregation. Activity of some 1H-benz[de]isoquinolinecarboximidamides on the in vivo blood platelet aggregation induced by collagen

  摘要：

  A series of 33 1H-benz[de]isoquinolinecarboximidamides has been prepared and tested in the rat after intraperitoneal (ip) and/or oral (po) administration for their ability to inhibit the in vivo blood platelet aggregation induced by collagen. In this aggregation test, a considerable number of active compounds were found. Fourteen compounds were active when administered in [0.2 (mmol/kg)/day], five of which also exhibited significant po activity. One compound was toxic after ip administration but was found to be active after po administration without apparent toxicity. It is thought that the solubility of the drug in water is an important factor for the resorption after oral administration and, hence, for its oral activity.

  DOI：

  10.1021/jm00348a020

文献信息

• Inhibitors of blood platelet aggregation. Activity of some 1H-benz[de]isoquinolinecarboximidamides on the in vivo blood platelet aggregation induced by collagen
  作者：Tom Beetz、Dick G. Meuleman、Joop H. Wieringa

  DOI：10.1021/jm00348a020

  日期：1982.6

  A series of 33 1H-benz[de]isoquinolinecarboximidamides has been prepared and tested in the rat after intraperitoneal (ip) and/or oral (po) administration for their ability to inhibit the in vivo blood platelet aggregation induced by collagen. In this aggregation test, a considerable number of active compounds were found. Fourteen compounds were active when administered in [0.2 (mmol/kg)/day], five of which also exhibited significant po activity. One compound was toxic after ip administration but was found to be active after po administration without apparent toxicity. It is thought that the solubility of the drug in water is an important factor for the resorption after oral administration and, hence, for its oral activity.