N-(4,6-Diethyl-pyrimidin-2-yl)-N'-phenethyl-guanidine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: N-(4,6-Diethyl-pyrimidin-2-yl)-N'-phenethyl-guanidine
• 英文别名: 1-(4,6-Diethylpyrimidin-2-yl)-3-phenethyl-guanidine；1-(4,6-diethylpyrimidin-2-yl)-2-(2-phenylethyl)guanidine
• 化学式: C₁₇H₂₃N₅
• 分子量: 297.403
• InChiKey: WZXMOEQNXFTZKA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  76.2
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4,6-diethyl-2-pyrmidylamine 以 二氯甲烷 为溶剂， 反应 5.0h， 生成 N-(4,6-Diethyl-pyrimidin-2-yl)-N'-phenethyl-guanidine
  参考文献：
  名称：

  Biaryl guanidine inhibitors of in vitro HCV-IRES activity

  摘要：

  A structure-activity relationship analysis was carried out on a high-throughput small molecule screening lead for HCV-IRES translation inhibition. The study led to the identification of a guanidine-based structure with low muM inhibitory activity. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.07.066

文献信息

• Biaryl guanidine inhibitors of in vitro HCV-IRES activity
  作者：Elizabeth A. Jefferson、Punit P. Seth、Dale E. Robinson、Dana K. Winter、Alycia Miyaji、Stephen A. Osgood、Eric E. Swayze、Lisa M. Risen

  DOI：10.1016/j.bmcl.2004.07.066

  日期：2004.10

  A structure-activity relationship analysis was carried out on a high-throughput small molecule screening lead for HCV-IRES translation inhibition. The study led to the identification of a guanidine-based structure with low muM inhibitory activity. (C) 2004 Elsevier Ltd. All rights reserved.