Biotin-C2-S-S-pyridine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 生物素及其衍生物
• 英文名称: Biotin-C2-S-S-pyridine
• 英文别名: 5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)-N-[2-(pyridin-2-yldisulfanyl)ethyl]pentanamide
• 化学式: C₁₇H₂₄N₄O₂S₃
• 分子量: 412.6
• InChiKey: MAJOROISBURONW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  26
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  159
• 氢给体数：
  3
• 氢受体数：
  6

文献信息

• Development of a Novel Mass Spectrometry-Based Method for Simultaneous Qualitative and Quantitative Protein Citrullination Analysis of Complex Biological Samples
  申请人：Wisconsin Alumni Research Foundation

  公开号：US20210181206A1

  公开（公告）日：2021-06-17

  The present invention discloses mass spectrometry (MS)-based methods and tagging reagents for qualitative and quantitative analysis of post-translational modified (PTM) proteins in biological and clinical samples. The present invention utilizes thiol-containing tagging reagents which are able to bind to or derivatize biomolecules, preferably post-translational modified (PTM) polypeptides such as citrullinated and homocitrullinated polypeptides. The tagging reagents are preferably biotin-derived tags able to react with a side chain of the modified polypeptides.