N-<2-(2-pyrimidylamino)ethyl>-5-isoquinolinesulfonamide dihydrochloride | 116700-46-0

• 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: N-<2-(2-pyrimidylamino)ethyl>-5-isoquinolinesulfonamide dihydrochloride
• 英文别名: N-[2-(2-pyrimidylamino)ethyl]-5-isoquinolinesulfonamide dihydrochloride；N-[2-(pyrimidin-2-ylamino)ethyl]isoquinoline-5-sulfonamide;hydrochloride
• CAS: 116700-46-0
• 化学式: C₁₅H₁₅N₅O₂S*2ClH
• 分子量: 402.304
• InChiKey: FIQZLUIWHJISOA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.84
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  105
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  异喹啉-5-磺酰氯 在 氢氧化钾 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 5.0h， 生成 N-<2-(2-pyrimidylamino)ethyl>-5-isoquinolinesulfonamide dihydrochloride
  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

• 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.