3-氨基-6-环丙基-2-吡嗪甲腈 | 17890-83-4

• 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-环丙基-2-吡嗪甲腈
• 英文名称: 3-Amino-6-cyclopropyl-pyrazin-2-carbonitril
• 英文别名: 3-amino-6-cyclopropyl-pyrazine-2-carbonitrile；3-Amino-6-cyclopropylpyrazine-2-carbonitrile；3-amino-6-cyclopropylpyrazine-2-carbonitrile
• CAS: 17890-83-4
• 化学式: C₈H₈N₄
• 分子量: 160.178
• InChiKey: WCVNQQVUTUIGMY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  75.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-氨基-6-环丙基-2-吡嗪甲腈 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 生成 (5-cyclopropyl-2-aminopyrazin-3-yl)methyl 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
• 作为产物：
  描述：

  3-Amino-6-cyclopropyl-2-carbamoyl-pyrazin 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-环丙基-2-吡嗪甲腈
  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