6-(苄基硫基)-2-吡嗪羧酸 | 66533-95-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 6-(苄基硫基)-2-吡嗪羧酸
• 英文名称: 6-benzylsulfanyl-pyrazine-2-carboxylic acid
• 英文别名: 6-(Benzylsulfanyl)pyrazine-2-carboxylic acid；6-benzylsulfanylpyrazine-2-carboxylic acid
• CAS: 66533-95-7
• 化学式: C₁₂H₁₀N₂O₂S
• 分子量: 246.29
• InChiKey: XUJVZURVZREHLV-UHFFFAOYSA-N

物化性质

• 熔点：
  188-190 °C(Solv: ethanol (64-17-5); water (7732-18-5))
• 沸点：
  461.9±45.0 °C(Predicted)
• 密度：
  1.38±0.1 g/cm3(Predicted)
• 溶解度：
  34.5 [ug/mL]

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

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  6-(苄基硫基)-2-吡嗪羧酸 以90%的产率得到
  参考文献：
  名称：

  FOKS H.; JANOWIEC M.; ZIELENIECKI M., POL. J. PHARMACOL. AND PHARM., 1977, 29, NO 6, 663-673

  摘要：

  DOI：
• 作为产物：
  描述：

  6-benzylsulfanyl-pyrazine-2-carbonitrile 以80%的产率得到
  参考文献：
  名称：

  FOKS H.; JANOWIEC M.; ZIELENIECKI M., POL. J. PHARMACOL. AND PHARM., 1977, 29, NO 6, 663-673

  摘要：

  DOI：

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.
• LOW AFFINITY SCREENING METHOD
  申请人：Graffinity Pharmaceuticals Aktiengesellschaft

  公开号：EP1360489A1

  公开（公告）日：2003-11-12
• Low affinity screening method
  申请人：——

  公开号：US20040082079A1

  公开（公告）日：2004-04-29

  A parallel high throughput screening method on a solid support is disclosed that allows the detection of low affinity binding partners, comprising the steps of:(a) providing a library of different ligands;(b) forming a binding matrix comprising the ligands on a solid support by immobilising said ligands on the support; (c) contacting a target of interest with said binding matrix; (d) parallely determining a binding value of the ligand/target interaction for each type of ligand comprised in the binding matrix; (e) selecting those ligands the binding value of which in an immobilised state towards the target exceeds a predetermined threshold; (f) evaluating the affinity of each of the ligands selected in step (e) in a non-immobilised state towards the target; (g) identifying at least one ligand of step (f) as low affinity binding ligand.
• [EN] LOW AFFINITY SCREENING METHOD<br/>[FR] PROCEDE DE CRIBLAGE DES FAIBLES AFFINITES
  申请人：GRAFFINITY PHARM DESIGN GMBH

  公开号：WO2002063299A1

  公开（公告）日：2002-08-15

  A parallel high throughput screening method on a solid support is disclosed that allows the detection of low affinity binding partners, comprising the steps of:(a) providing a library of different ligands;(b) forming a binding matrix comprising the ligands on a solid support by immobilising said ligands on the support; (c) contacting a target of interest with said binding matrix; (d) parallely determining a binding value of the ligand/target interaction for each type of ligand comprised in the binding matrix; (e) selecting those ligands the binding value of which in an immobilised state towards the target exceeds a predetermined threshold; (f) evaluating the affinity of each of the ligands selected in step (e) in a non-immobilised state towards the target; (g) identifying at least one ligand of step (f) as low affinity binding ligand.
• FOKS H.; JANOWIEC M.; ZIELENIECKI M., POL. J. PHARMACOL. AND PHARM., 1977, 29, NO 6, 663-673
  作者：FOKS H.、 JANOWIEC M.、 ZIELENIECKI M.

  DOI：——

  日期：——