(6R)-3-acetoxymethyl-7t-acetylamino-8-oxo-(6rH)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid | 32178-86-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酰胺类
• 英文名称: (6R)-3-acetoxymethyl-7t-acetylamino-8-oxo-(6rH)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid
• 英文别名: 7β-acetylamino-cephalosporanic acid；7-acetamido cephalosporanic acid；7-Acetamido-3-(acetyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
• CAS: 32178-86-2
• 化学式: C₁₂H₁₄N₂O₆S
• 分子量: 314.319
• InChiKey: XZWUXKVIZOHFTC-UHFFFAOYSA-N

物化性质

• 沸点：
  683.2±55.0 °C(Predicted)
• 密度：
  1.54±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.5
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  138
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• OPTICALLY-DETECTABLE ENZYME SUBSTRATES AND THEIR METHOD OF USE
  申请人：CORRY Schuyler Boon

  公开号：US20090047692A1

  公开（公告）日：2009-02-19

  The present invention relates to compounds that are substrates for an enzyme, and upon reaction with the enzyme provide a detectable response, such as an optically detectable response. In particular, the compounds have utility in detecting the presence of a β-lactamase in a sample. In addition to the compounds, methods are disclosed for analyzing a sample for the presence of a β-lactmase, for example, as an indicator of expression of a nucleic acid sequence including a sequence coding for a β-lactmase. Kits are disclosed that include the disclosed compounds and additional components, for example, cells, antibodies, a β-lactmase or instructions for using the components in an assay.

  本发明涉及一种酶底物化合物，经过与该酶的反应后提供可检测的响应，例如光学可检测响应。特别是，这些化合物在检测样品中β-内酰胺酶的存在方面具有实用性。除了这些化合物，还揭示了一种分析样品中β-内酰胺酶存在的方法，例如，作为包括编码β-内酰胺酶的核酸序列的表达的指示器。还揭示了包括上述化合物和其他组分的试剂盒，例如细胞、抗体、β-内酰胺酶或使用这些组分进行检测的说明。