N-(2-bromophenyl)-4-methyl-3-nitrobenzenesulfonamide | 425605-95-4

• 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: N-(2-bromophenyl)-4-methyl-3-nitrobenzenesulfonamide
• CAS: 425605-95-4
• 化学式: C₁₃H₁₁BrN₂O₄S
• 分子量: 371.211
• InChiKey: MUFJFBHIYXHKEQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  100
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-(2-bromophenyl)-4-methyl-3-nitrobenzenesulfonamide 在 盐酸 、 水 、 铁粉 作用下， 以 乙醇 为溶剂， 生成 3-amino-N-(2-bromophenyl)-4-methylbenzenesulfonamide
  参考文献：
  名称：

  Synthesis and pharmacological evaluation of aryl aminosulfonamide derivatives as potent 5-HT6 receptor antagonists

  摘要：

  A series of novel aryl aminosulfonamides was designed and synthesized as 5-HT6 receptor ligands. Many compounds screened in a functional reporter gene based assay displayed potent antagonistic activity with Kb values in the range of 0.02-10 nM. The lead compound 11m exemplified in this series showed good ADME surrogate properties, acceptable pharmacokinetic profile and is active in animal models of cognition like novel object recognition test and Morris water maze. The compound was selected for detailed profiling. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.06.060
• 作为产物：
  描述：

  4-甲基-3-硝基苯磺酰氯 、 2-溴苯胺 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 N-(2-bromophenyl)-4-methyl-3-nitrobenzenesulfonamide
  参考文献：
  名称：

  Synthesis and pharmacological evaluation of aryl aminosulfonamide derivatives as potent 5-HT6 receptor antagonists

  摘要：

  A series of novel aryl aminosulfonamides was designed and synthesized as 5-HT6 receptor ligands. Many compounds screened in a functional reporter gene based assay displayed potent antagonistic activity with Kb values in the range of 0.02-10 nM. The lead compound 11m exemplified in this series showed good ADME surrogate properties, acceptable pharmacokinetic profile and is active in animal models of cognition like novel object recognition test and Morris water maze. The compound was selected for detailed profiling. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.06.060

文献信息

• Synthesis and pharmacological evaluation of aryl aminosulfonamide derivatives as potent 5-HT6 receptor antagonists
  作者：Ramakrishna V.S. Nirogi、Anand V. Daulatabad、G. Parandhama、Shaikh Mohammad、K.R. Sastri、Anil K. Shinde、P.K. Dubey

  DOI：10.1016/j.bmcl.2010.06.060

  日期：2010.8

  A series of novel aryl aminosulfonamides was designed and synthesized as 5-HT6 receptor ligands. Many compounds screened in a functional reporter gene based assay displayed potent antagonistic activity with Kb values in the range of 0.02-10 nM. The lead compound 11m exemplified in this series showed good ADME surrogate properties, acceptable pharmacokinetic profile and is active in animal models of cognition like novel object recognition test and Morris water maze. The compound was selected for detailed profiling. (C) 2010 Elsevier Ltd. All rights reserved.