1-Benzyl-4-methyl-3H-pyridine-2,6-dione

• 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: 1-Benzyl-4-methyl-3H-pyridine-2,6-dione
• 化学式: C₁₃H₁₃NO₂
• 分子量: 215.252
• InChiKey: MPHBCWUMQTYYNA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  37.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-Benzyl-4-methyl-3H-pyridine-2,6-dione 在 戴斯-马丁氧化剂 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以21%的产率得到1-Benzyl-4-methyl-pyridine-2,3,6-trione
  参考文献：
  名称：

  丙型肝炎病毒NS3蛋白酶的新型抑制剂。

  摘要：

  丙型肝炎病毒蛋白酶抑制剂4-甲基-1-（苯甲基）-2,6-吡啶二酮1在硅胶上经历了新的自氧化过程，导致二聚体2作为主要产物，是一种相对更有效的酶抑制剂。

  DOI：

  10.1016/j.bmcl.2005.06.079

文献信息

• COMPOSITIONS AND METHODS OF CONTROLLING AND ADMINISTERING REDOX SPECIFIC FORMS OF DRUGS, FOODS AND DIETARY SUPPLEMENTS
  申请人：Baugh Steve

  公开号：US20100021989A1

  公开（公告）日：2010-01-28

  The formulations have an antimicrobial, antiviral, and anti-pathogenic composition that combines, in various forms, a redox-active polyphenol, an oxidizing agent, and/or a redox-active, transition metal ion and/or electrochemical potential. The composition relates to methods for decreasing or eliminating the infectivity, morbidity, and rate of mortality associated with a variety of pathogenic organisms and viruses. The present invention also relates to methods and compositions for treating herpes simplex and HIV viruses and drug-resistant bacteria, and for decontaminating areas colonized or otherwise infected by pathogenic organisms and viruses. Moreover, the present invention relates to methods, compositions, electrochemical devices, and storage containers for decreasing the infectivity of pathogenic organisms in pharmaceuticals, medical devices, personal care products, recreational products, and foodstuffs.
• Novel inhibitors of the hepatitis C virus NS3 proteinase
  作者：Frank Bennett、Yi-Tsung Liu、Anil K. Saksena、Ashok Arasappan、Nancy Butkiewicz、Bimalendu Dasmahapatra、John S. Pichardo、F. George Njoroge、Naginbhai M. Patel、Yuhua Huang、Xiaozheng Yang

  DOI：10.1016/j.bmcl.2005.06.079

  日期：2005.10

  The hepatitis C virus proteinase inhibitor 4-methyl-1-(phenylmethyl)-2,6-pyridinedione 1 undergoes a novel autoxidation process, on silica gel, leading to the dimer 2 as the major product, a relatively more potent inhibitor of the enzyme.

  丙型肝炎病毒蛋白酶抑制剂4-甲基-1-（苯甲基）-2,6-吡啶二酮1在硅胶上经历了新的自氧化过程，导致二聚体2作为主要产物，是一种相对更有效的酶抑制剂。