3-Dimethylamino-N-(2-methyl-5-nitro-phenyl)-benzamide | 348611-07-4

• 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: 3-Dimethylamino-N-(2-methyl-5-nitro-phenyl)-benzamide
• 英文别名: 3-(dimethylamino)-N-(2-methyl-5-nitrophenyl)benzamide
• CAS: 348611-07-4
• 化学式: C₁₆H₁₇N₃O₃
• 分子量: 299.329
• InChiKey: GUDWEXIMOINBGC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  78.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-Dimethylamino-N-(2-methyl-5-nitro-phenyl)-benzamide 在 palladium on activated charcoal 氢气 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 N-[5-(3,4-Dimethoxybenzamido)-2-methylphenyl]-3-dimethylaminobenzamide
  参考文献：
  名称：

  A novel series of p38 MAP kinase inhibitors for the potential treatment of rheumatoid arthritis

  摘要：

  A novel p38 MAP kinase inhibitor structural class was discovered through selectivity screening. The rational analogue design, synthesis and structure-activity relationship of this series of bisamide inhibitors is reported. The inhibition in vitro of human p38alpha enzyme activity and lipopolysaccharide-induced tumour necrosis factor-alpha release is described for the series. The activity in vivo and pharmacokinetic properties are exemplified for the more potent analogues. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.08.006
• 作为产物：
  描述：

  间二甲氨基苯甲酸 在 草酰氯 、 三乙胺 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 为溶剂， 生成 3-Dimethylamino-N-(2-methyl-5-nitro-phenyl)-benzamide
  参考文献：
  名称：

  A novel series of p38 MAP kinase inhibitors for the potential treatment of rheumatoid arthritis

  摘要：

  A novel p38 MAP kinase inhibitor structural class was discovered through selectivity screening. The rational analogue design, synthesis and structure-activity relationship of this series of bisamide inhibitors is reported. The inhibition in vitro of human p38alpha enzyme activity and lipopolysaccharide-induced tumour necrosis factor-alpha release is described for the series. The activity in vivo and pharmacokinetic properties are exemplified for the more potent analogues. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.08.006

文献信息

• A novel series of p38 MAP kinase inhibitors for the potential treatment of rheumatoid arthritis
  作者：Dearg S. Brown、Andrew J. Belfield、George R. Brown、Douglas Campbell、Alan Foubister、David J. Masters、Kurt G. Pike、Wendy L. Snelson、Stuart L. Wells

  DOI：10.1016/j.bmcl.2004.08.006

  日期：2004.11

  A novel p38 MAP kinase inhibitor structural class was discovered through selectivity screening. The rational analogue design, synthesis and structure-activity relationship of this series of bisamide inhibitors is reported. The inhibition in vitro of human p38alpha enzyme activity and lipopolysaccharide-induced tumour necrosis factor-alpha release is described for the series. The activity in vivo and pharmacokinetic properties are exemplified for the more potent analogues. (C) 2004 Elsevier Ltd. All rights reserved.