2,3,4,5-Tetramethoxy-6-methyl-N-(3-phenyl-propyl)-benzamide | 842162-47-4

• 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: 2,3,4,5-Tetramethoxy-6-methyl-N-(3-phenyl-propyl)-benzamide
• 英文别名: 2,3,4,5-tetramethoxy-6-methyl-N-(3-phenylpropyl)benzamide
• CAS: 842162-47-4
• 化学式: C₂₁H₂₇NO₅
• 分子量: 373.449
• InChiKey: PXPGCXYUQHCILK-UHFFFAOYSA-N

物化性质

• 沸点：
  448.6±45.0 °C(Predicted)
• 密度：
  1.112±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.39
• 重原子数：
  27.0
• 可旋转键数：
  9.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  66.02
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  2,3,4,5-Tetramethoxy-6-methyl-N-(3-phenyl-propyl)-benzamide 在 ammonium cerium(IV) nitrate 作用下， 以 乙腈 为溶剂， 生成 4,5-Dimethoxy-2-methyl-3,6-dioxo-cyclohexa-1,4-dienecarboxylic acid (3-phenyl-propyl)-amide
  参考文献：
  名称：

  2,3-Dimethoxy-5-methyl-1,4-benzoquinones and 2-methyl-1,4-naphthoquinones: glycation inhibitors with lipid peroxidation activity

  摘要：

  Anti-glycation activity of our anti-oxidant quinone library was measured and several 2,3-dimetlioxy-5-methyl-1,4-benzoquinones and 2-methyl-1,4-naphthoquinones were identified as novel inhibitors of glycation, of which 2,3-dimethoxy-5-methyl-1,4-benzoquinones 13b is the most potent glycation inhibitor with around 50 muM of the IC50 value. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.12.029
• 作为产物：
  描述：

  2,3,4,5-四甲氧基甲苯 在 正丁基锂 、 1-羟基苯并三唑 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 生成 2,3,4,5-Tetramethoxy-6-methyl-N-(3-phenyl-propyl)-benzamide
  参考文献：
  名称：

  2,3-Dimethoxy-5-methyl-1,4-benzoquinones and 2-methyl-1,4-naphthoquinones: glycation inhibitors with lipid peroxidation activity

  摘要：

  Anti-glycation activity of our anti-oxidant quinone library was measured and several 2,3-dimetlioxy-5-methyl-1,4-benzoquinones and 2-methyl-1,4-naphthoquinones were identified as novel inhibitors of glycation, of which 2,3-dimethoxy-5-methyl-1,4-benzoquinones 13b is the most potent glycation inhibitor with around 50 muM of the IC50 value. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.12.029