ethyl 2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate | 1155271-60-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: ethyl 2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate
• CAS: 1155271-60-5
• 化学式: C₁₁H₁₂N₄O₄S
• 分子量: 296.307
• InChiKey: KYMAHSCYEWTECD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  141
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  ethyl 2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate 在 三氯氧磷 作用下， 生成 2-[(4-6-Dichloropyrimidin-2-yl)amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester
  参考文献：
  名称：

  Identification of potent pyrimidine inhibitors of phosphodiesterase 7 (PDE7) and their ability to inhibit T cell proliferation

  摘要：

  A series of pyrimidine based inhibitors of PDE7 are discussed. The synthesis, structure-activity relationships (SAR) and selectivity against several other PDE family members as well as activity in T cells are presented. These compounds were found to have effects on T cell proliferation, however it is not clear whether the mechanism is related to PDE7 inhibition. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.02.060
• 作为产物：
  描述：

  丙二酸二乙酯 、 5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-ylguanidine 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 以100%的产率得到ethyl 2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate
  参考文献：
  名称：

  Identification of potent pyrimidine inhibitors of phosphodiesterase 7 (PDE7) and their ability to inhibit T cell proliferation

  摘要：

  A series of pyrimidine based inhibitors of PDE7 are discussed. The synthesis, structure-activity relationships (SAR) and selectivity against several other PDE family members as well as activity in T cells are presented. These compounds were found to have effects on T cell proliferation, however it is not clear whether the mechanism is related to PDE7 inhibition. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.02.060