3-(aminomethyl)-5-chloro-6-methylsulfanylpyrazin-2-amine | 1173998-97-4

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 3-(aminomethyl)-5-chloro-6-methylsulfanylpyrazin-2-amine
• CAS: 1173998-97-4
• 化学式: C₆H₉ClN₄S
• 分子量: 204.683
• InChiKey: URQVSPXIYFODAK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  103
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-amino-5-chloro-3-cyano-6-(methylthio)pyrazine 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 生成 3-(aminomethyl)-5-chloro-6-methylsulfanylpyrazin-2-amine
  参考文献：
  名称：

  Novel 1-(2-aminopyrazin-3-yl)methyl-2-thioureas as potent inhibitors of mitogen-activated protein kinase-activated protein kinase 2 (MK-2)

  摘要：

  Novel 1-(2-aminopyrazin-3-yl)methyl-2-thioureas are described as inhibitors of mitogen-activated protein kinase-activated protein kinase 2 (MK-2). These compounds demonstrate potent in vitro activity against the enzyme with IC50 values as low as 15 nM, and suppress expression of TNF alpha in THP-1 cells and in vivo in an acute inflammation model in mice. The synthesis, structure-activity relationship (SAR), and biological evaluation of these compounds are discussed. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.04.088