6-Oxo-1,6-dihydro-pyridine-2-carboxylic acid 4-methyl-benzyl ester | 1000987-13-2

• 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: 6-Oxo-1,6-dihydro-pyridine-2-carboxylic acid 4-methyl-benzyl ester
• 英文别名: (4-methylphenyl)methyl 6-oxo-1H-pyridine-2-carboxylate
• CAS: 1000987-13-2
• 化学式: C₁₄H₁₃NO₃
• 分子量: 243.262
• InChiKey: WLDFNVXUZOLFLV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 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：

  6-Oxo-1,6-dihydro-pyridine-2-carboxylic acid 4-methyl-benzyl ester 在 劳森试剂 作用下， 以 四氢呋喃 为溶剂， 以43%的产率得到6-Mercapto-pyridine-2-carboxylic acid 4-methyl-benzyl ester
  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：

  4-甲基苄溴 、 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35%的产率得到6-Oxo-1,6-dihydro-pyridine-2-carboxylic acid 4-methyl-benzyl ester
  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

• [EN] BUTYRYLCHOLINESTERASE COMPOUNDS AND USE IN DISEASES OF THE NERVOUS SYSTEM<br/>[FR] COMPOSÉS DE BUTYRYLCHOLINESTÉRASE ET LEUR UTILISATION DANS DES MALADIES DU SYSTÈME NERVEUX
  申请人：TREVENTIS CORP

  公开号：WO2021026429A1

  公开（公告）日：2021-02-11

  Compounds for the diagnosis of an amyloid disease, multiple sclerosis, a brain tumour, or butyrylcholinesterase activity are disclosed. In certain embodiments, the compounds are compounds of Formula (I); or a pharmaceutically acceptable salt thereof.

  揭示了用于诊断淀粉样病、多发性硬化、脑肿瘤或丁酰胆碱酯酶活性的化合物。在某些实施例中，这些化合物是式（I）的化合物；或其药用可接受的盐。
• 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.