2-Chlorobenzyl 6-oxo-1,6-dihydropyridine-2-carboxylate | 1000987-33-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-Chlorobenzyl 6-oxo-1,6-dihydropyridine-2-carboxylate
• 英文别名: (2-chlorophenyl)methyl 6-oxo-1H-pyridine-2-carboxylate
• CAS: 1000987-33-6
• 化学式: C₁₃H₁₀ClNO₃
• 分子量: 263.68
• InChiKey: GBDUKEUKPOMNDD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-氯苄溴 、 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， 反应 16.0h， 以38%的产率得到2-Chlorobenzyl 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

文献信息

• Synthesis and evaluation of novel heterocyclic MMP inhibitors
  作者：Ryuji Hayashi、Xiaomin Jin、Gregory R. Cook

  DOI：10.1016/j.bmcl.2007.10.020

  日期：2007.12

  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.