methyl 3-amino-2-bromo-3-oxopropanoate | 1612886-68-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: methyl 3-amino-2-bromo-3-oxopropanoate
• CAS: 1612886-68-6
• 化学式: C₄H₆BrNO₃
• 分子量: 196.001
• InChiKey: RBOGUMOYBCMPRE-UHFFFAOYSA-N

物化性质

• 沸点：
  269.9±30.0 °C(Predicted)
• 密度：
  1.743±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  69.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  硫代异烟酰胺 、 methyl 3-amino-2-bromo-3-oxopropanoate 在 吡啶 作用下， 以 甲苯 为溶剂， 反应 16.0h， 以3%的产率得到4-hydroxy-2-(pyridin-4-yl)thiazole-5-carboxamide
  参考文献：
  名称：

  Synthesis and structure–activity relationship of trisubstituted thiazoles as Cdc7 kinase inhibitors

  摘要：

  The Cell division cycle 7 (Cdc7) protein kinase is essential for DNA replication and maintenance of genome stability. We systematically explored thiazole-based compounds as inhibitors of Cdc7 kinase activity in cancer cells. Our studies resulted in the identification of a potent, selective Cdc7 inhibitor that decreased phosphorylation of the direct substrate MCM2 in vitro and in vivo, and inhibited DNA synthesis and cell viability in vitro.

  DOI：

  10.1016/j.ejmech.2014.04.013
• 作为产物：
  描述：

  甲基丙二酰胺 在 溴 作用下， 以 溶剂黄146 为溶剂， 以45%的产率得到methyl 3-amino-2-bromo-3-oxopropanoate
  参考文献：
  名称：

  Synthesis and structure–activity relationship of trisubstituted thiazoles as Cdc7 kinase inhibitors

  摘要：

  The Cell division cycle 7 (Cdc7) protein kinase is essential for DNA replication and maintenance of genome stability. We systematically explored thiazole-based compounds as inhibitors of Cdc7 kinase activity in cancer cells. Our studies resulted in the identification of a potent, selective Cdc7 inhibitor that decreased phosphorylation of the direct substrate MCM2 in vitro and in vivo, and inhibited DNA synthesis and cell viability in vitro.

  DOI：

  10.1016/j.ejmech.2014.04.013