4-hydroxy-2-(pyridin-4-yl)thiazole-5-carboxylic acid hydrochloride | 1612886-69-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-hydroxy-2-(pyridin-4-yl)thiazole-5-carboxylic acid hydrochloride
• 英文别名: 4-Hydroxy-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid;hydrochloride；4-hydroxy-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid;hydrochloride
• CAS: 1612886-69-7
• 化学式: C₉H₆N₂O₃S*ClH
• 分子量: 258.685
• InChiKey: JRBNUAJQXROGSG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.03
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  112
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-hydroxy-2-(pyridin-4-yl)thiazole-5-carboxylic acid hydrochloride 在 草酰氯 、 N,N-二甲基甲酰胺 作用下， 以 四氢呋喃 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 4-hydroxy-N-methyl-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：

  硫代异烟酰胺 在 吡啶 、 盐酸 、 lithium hydroxide monohydrate 、 水 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 、 水 为溶剂， 反应 19.0h， 生成 4-hydroxy-2-(pyridin-4-yl)thiazole-5-carboxylic acid hydrochloride
  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