3-氨基-6-氯吡嗪-2-羧酰胺 | 1125-56-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 3-氨基-6-氯吡嗪-2-羧酰胺
• 英文名称: 3-Amino-6-chlor-pyrazinamid
• 英文别名: 3-Amino-6-chloropyrazine-2-carboxamide
• CAS: 1125-56-0
• 化学式: C₅H₅ClN₄O
• 分子量: 172.574
• InChiKey: YRLKALFVUYUKGQ-UHFFFAOYSA-N

物化性质

• 熔点：
  227-230 °C
• 沸点：
  336.7±42.0 °C(Predicted)
• 密度：
  1.585±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  94.9
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302

反应信息

• 作为反应物：
  描述：

  3-氨基-6-氯吡嗪-2-羧酰胺 在 N,N-二甲基甲酰胺 、 三氯氧磷 、 盐酸 、 水 作用下， 生成 3-氨基-6-氯-2-氰基吡嗪
  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

文献信息

• Novel 1-(2-aminopyrazin-3-yl)methyl-2-thioureas as potent inhibitors of mitogen-activated protein kinase-activated protein kinase 2 (MK-2)
  作者：Songnian Lin、Matthew Lombardo、Sunita Malkani、Jeffrey J. Hale、Sander G. Mills、Kevin Chapman、James E. Thompson、Wen Xiao Zhang、Ruixiu Wang、Rose M. Cubbon、Edward A. O’Neill、Silvi Luell、Ester Carballo-Jane、Lihu Yang

  DOI：10.1016/j.bmcl.2009.04.088

  日期：2009.6

  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.