1-Piperazinecarboximidamide, 2,5-dimethyl-, sulfate (2:1) | 92564-61-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 1-Piperazinecarboximidamide, 2,5-dimethyl-, sulfate (2:1)
• 英文别名: 2,5-dimethylpiperazine-1-carboximidamide;sulfuric acid
• CAS: 92564-61-9
• 化学式: 2C₇H₁₆N₄*H₂O₄S
• 分子量: 410.541
• InChiKey: GKQZSYOLTYLSDO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.09
• 重原子数：
  16.0
• 可旋转键数：
  0.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  139.74
• 氢给体数：
  5.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  异喹啉-5-磺酰氯 、 1-Piperazinecarboximidamide, 2,5-dimethyl-, sulfate (2:1) 以 四氢呋喃 、 水 为溶剂， 生成 4-Isoquinolin-5-ylsulfonyl-2,5-dimethylpiperazine-1-carboximidamide;hydrochloride
  参考文献：
  名称：

  5-Isoquinolinesulfonamide derivatives. 1. Synthesis and vasodilatory activity of N-(2-guanidinoethyl)-5-isoquinolinesulfonamide derivatives

  摘要：

  Two novel series of N-(2-guanidinoalkyl)-5-isoquinolinesulfonamides, 2 and 3, were prepared. Many of the compounds possessed vasodilatory activity when injected locally into the femoral artery of dogs. The most potent compound, 1-amidino-4-(5-isoquinolylsulfonyl)-1,4-perhydrodiazepine, 33, was comparable to diltiazem, which is used clinically as a vasodilator.

  DOI：

  10.1021/jm00121a009
• 作为产物：
  描述：

  2,5-二甲基哌嗪 、 S-甲基异硫脲硫酸盐 以 水 为溶剂， 以84%的产率得到1-Piperazinecarboximidamide, 2,5-dimethyl-, sulfate (2:1)
  参考文献：
  名称：

  5-Isoquinolinesulfonamide derivatives. 1. Synthesis and vasodilatory activity of N-(2-guanidinoethyl)-5-isoquinolinesulfonamide derivatives

  摘要：

  Two novel series of N-(2-guanidinoalkyl)-5-isoquinolinesulfonamides, 2 and 3, were prepared. Many of the compounds possessed vasodilatory activity when injected locally into the femoral artery of dogs. The most potent compound, 1-amidino-4-(5-isoquinolylsulfonyl)-1,4-perhydrodiazepine, 33, was comparable to diltiazem, which is used clinically as a vasodilator.

  DOI：

  10.1021/jm00121a009