Phenethyl 6-oxo-1,6-dihydropyridine-2-carboxylate | 1000987-12-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: Phenethyl 6-oxo-1,6-dihydropyridine-2-carboxylate
• 英文别名: 2-phenylethyl 6-oxo-1H-pyridine-2-carboxylate
• CAS: 1000987-12-1
• 化学式: C₁₄H₁₃NO₃
• 分子量: 243.262
• InChiKey: HLKJVILSXJCTNG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Phenethyl 6-oxo-1,6-dihydropyridine-2-carboxylate 在 劳森试剂 作用下， 以 四氢呋喃 为溶剂， 以47%的产率得到Phenethyl 6-mercaptopicolinate
  参考文献：
  名称：

  Synthesis and evaluation of novel heterocyclic MMP inhibitors

  摘要：

  A variety of novel heterocyclic compounds were synthesized and evaluated for MMP inhibition. Broad spectrum inhibition of MMPs 1, 2, 9, and 12 was found with pyridinone-based compounds while N-heterocyclic triazoles and tetrazoles were largely ineffective. A highly selective tetrazole inhibitor for MMP-2 was discovered. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.10.020
• 作为产物：
  描述：

  乙基溴苯 、 6-羟基吡啶-2-羧酸 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 sodium iodide 作用下， 以 乙腈 为溶剂， 以74%的产率得到Phenethyl 6-oxo-1,6-dihydropyridine-2-carboxylate
  参考文献：
  名称：

  Synthesis and evaluation of novel heterocyclic MMP inhibitors

  摘要：

  A variety of novel heterocyclic compounds were synthesized and evaluated for MMP inhibition. Broad spectrum inhibition of MMPs 1, 2, 9, and 12 was found with pyridinone-based compounds while N-heterocyclic triazoles and tetrazoles were largely ineffective. A highly selective tetrazole inhibitor for MMP-2 was discovered. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.10.020