5-Benzylsulfanylpyrazine-2-carboxylic acid | 1096711-99-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 5-Benzylsulfanylpyrazine-2-carboxylic acid
• CAS: 1096711-99-7
• 化学式: C₁₂H₁₀N₂O₂S
• 分子量: 246.29
• InChiKey: IGCDEADVMNGGOG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  88.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-oxo-1,2-dihydroindazole-5-carbonitrile 、 5-Benzylsulfanylpyrazine-2-carboxylic acid 在 N,N'-羰基二咪唑 作用下， 以 二氯甲烷 为溶剂， 生成 1-(5-benzylsulfanylpyrazine-2-carbonyl)-3-oxo-2H-indazole-5-carbonitrile
  参考文献：
  名称：

  Bacterial translation inhibitors, 1-acylindazol-3-ols as anthranilic acid mimics

  摘要：

  The discovery and initial optimization of a novel anthranilic acid derived class of antibacterial agents has been described in a recent series of papers. This paper describes the discovery of 1-acylindazol-3-ols as a novel bioisostere of an anthranilic acid. The synthesis and structure-activity relationships of the indazol bioisosteres are described herein. (C) 2008 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2007.08.041

文献信息

• Bacterial translation inhibitors, 1-acylindazol-3-ols as anthranilic acid mimics
  作者：Cory Stiff、David R. Graber、Atli Thorarensen、Brian D. Wakefield、Keith R. Marotti、Earline P. Melchior、Michael T. Sweeney、Fusen Han、Douglas C. Rohrer、Gary E. Zurenko、Donna L. Romero

  DOI：10.1016/j.bmcl.2007.08.041

  日期：2008.12

  The discovery and initial optimization of a novel anthranilic acid derived class of antibacterial agents has been described in a recent series of papers. This paper describes the discovery of 1-acylindazol-3-ols as a novel bioisostere of an anthranilic acid. The synthesis and structure-activity relationships of the indazol bioisosteres are described herein. (C) 2008 Published by Elsevier Ltd.