4-(9H-purin-6-ylamino-methyl)-benzenesulfonamide | 21266-66-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 4-(9H-purin-6-ylamino-methyl)-benzenesulfonamide
• 英文别名: p-Toluenesulfonamide, alpha-(purin-6-ylamino)-；4-[(7H-purin-6-ylamino)methyl]benzenesulfonamide
• CAS: 21266-66-0
• 化学式: C₁₂H₁₂N₆O₂S
• 分子量: 304.332
• InChiKey: MGZJAXYRCXYPPD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  135
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  磺胺米隆 、 6-氯嘌呤 在 N,N-二异丙基乙胺 作用下， 以 正丁醇 为溶剂， 生成 4-(9H-purin-6-ylamino-methyl)-benzenesulfonamide
  参考文献：
  名称：

  Structure-based design, synthesis, and antimicrobial activity of purine derived SAH/MTA nucleosidase inhibitors

  摘要：

  The structure-based design, synthesis, and biological activity of novel inhibitors of S-adenosyl homocysteine/methylthioadenosine (SAH/MTA) nucleosidase are described. Using 6-substituted purine and deaza purines as the core scaffolds, a systematic and structure guided series of modifications provided low nM inhibitors with broad-spectrum antimicrobial activity. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.04.006

文献信息

• Structure-based design, synthesis, and antimicrobial activity of purine derived SAH/MTA nucleosidase inhibitors
  作者：Martina E. Tedder、Zhe Nie、Stephen Margosiak、Shaosong Chu、Victoria A. Feher、Robert Almassy、Krzysztof Appelt、Kraig M. Yager

  DOI：10.1016/j.bmcl.2004.04.006

  日期：2004.6

  The structure-based design, synthesis, and biological activity of novel inhibitors of S-adenosyl homocysteine/methylthioadenosine (SAH/MTA) nucleosidase are described. Using 6-substituted purine and deaza purines as the core scaffolds, a systematic and structure guided series of modifications provided low nM inhibitors with broad-spectrum antimicrobial activity. (C) 2004 Elsevier Ltd. All rights reserved.

表征谱图