N-phenethyl-N'-(4,5,6-trimethyl-pyrimidin-2-yl)-guanidine | 70826-02-7

• 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-phenethyl-N'-(4,5,6-trimethyl-pyrimidin-2-yl)-guanidine
• 英文别名: 1-Phenethyl-3-(4,5,6-trimethylpyrimidin-2-yl)guanidine；2-(2-phenylethyl)-1-(4,5,6-trimethylpyrimidin-2-yl)guanidine
• CAS: 70826-02-7
• 化学式: C₁₆H₂₁N₅
• 分子量: 283.376
• InChiKey: KSACXKVVNCNIRA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 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：

  4,5,6-三甲基嘧啶-2-胺 以 二氯甲烷 为溶剂， 反应 5.0h， 生成 N-phenethyl-N'-(4,5,6-trimethyl-pyrimidin-2-yl)-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.