2-[2-(Isoquinolin-5-ylsulfonylamino)ethyl]-1-nitroguanidine;hydrochloride | 116700-41-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 2-[2-(Isoquinolin-5-ylsulfonylamino)ethyl]-1-nitroguanidine;hydrochloride
• CAS: 116700-41-5
• 化学式: C₁₂H₁₄N₆O₄S*ClH
• 分子量: 374.808
• InChiKey: VUNRZWVZNHTHKI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.03
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  164
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  异喹啉-5-磺酰氯 在 sodium hydroxide 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 4.0h， 生成 2-[2-(Isoquinolin-5-ylsulfonylamino)ethyl]-1-nitroguanidine;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

文献信息

• MORIKAWA, ANRI;SONE, TAKANORI;ASANO, TOSHIO, J. MED. CHEM., 32,(1989) N, C. 42-46
  作者：MORIKAWA, ANRI、SONE, TAKANORI、ASANO, TOSHIO

  DOI：——

  日期：——
• 5-Isoquinolinesulfonamide derivatives. 1. Synthesis and vasodilatory activity of N-(2-guanidinoethyl)-5-isoquinolinesulfonamide derivatives
  作者：Anri Morikawa、Takanori Sone、Toshio Asano

  DOI：10.1021/jm00121a009

  日期：1989.1

  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.