N-(N'-tert-butoxycarbonyl-6-aminohexyl)-5-((1R,5S,6S)-3,7,7-trioxo-7-thia-2,4-diazabicyclo[3.3.0]oct-6-yl)pentanamide | 1069074-84-5

• 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: N-(N'-tert-butoxycarbonyl-6-aminohexyl)-5-((1R,5S,6S)-3,7,7-trioxo-7-thia-2,4-diazabicyclo[3.3.0]oct-6-yl)pentanamide
• 英文别名: tert-butyl N-[6-[5-[(3aS,4S,6aR)-2,5,5-trioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexyl]carbamate
• CAS: 1069074-84-5
• 化学式: C₂₁H₃₈N₄O₆S
• 分子量: 474.622
• InChiKey: NPKUNBPBCLJTPN-BQFCYCMXSA-N

物化性质

• 熔点：
  237 °C
• 沸点：
  799.3±55.0 °C(Predicted)
• 密度：
  1.171±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  32
• 可旋转键数：
  14
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  151
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N-(N'-tert-butoxycarbonyl-6-aminohexyl)-5-((1R,5S,6S)-3,7,7-trioxo-7-thia-2,4-diazabicyclo[3.3.0]oct-6-yl)pentanamide 在 三氟乙酸 作用下， 反应 0.08h， 以100%的产率得到5-[(3aS,4S,6aR)-2,5,5-trioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-(6-aminohexyl)pentanamide
  参考文献：
  名称：

  Biotin Sulfone as a New Tool for Synthetic Oligosaccharide Immobilization: Application to Multiple Analysis Profiling and Surface Plasmonic Analysis of Anti-Candida albicans Antibody Reactivity against α and β (1→2) Oligomannosides

  摘要：

  As a part of our glycoantigen synthetic program for diagnosis and basic analysis of yeast-related pathogenic mechanisms, a library of 1-->2 oligomannosides suitable for immunoanalysis was prepared. The use of biotin sulfone, an oxidized form of biotin, offers a convenient solution for both oligosaccharide synthesis and immobilization on microspheres and surface plasmon resonance sensors. The application of this new strategy for the analysis of anti-Candida albicans antibody response through multiple-analyte profiling technology (Luminex) and with surface plasmonic analysis using biotin tagged synthetic oligosaccharides on avidin coated surfaces was validated using monoclonal antibodies.

  DOI：

  10.1021/jm800099g
• 作为产物：
  描述：

  5-[(3aR,6S,6aS)-2,5,5-三氧代-1,3,3a,4,6,6a-六氢噻吩并[3,4-d]咪唑-6-基]戊酸 、 N-BOC-1,6-己二胺盐酸盐 在 吡啶 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 反应 15.0h， 以91%的产率得到N-(N'-tert-butoxycarbonyl-6-aminohexyl)-5-((1R,5S,6S)-3,7,7-trioxo-7-thia-2,4-diazabicyclo[3.3.0]oct-6-yl)pentanamide
  参考文献：
  名称：

  Biotin Sulfone as a New Tool for Synthetic Oligosaccharide Immobilization: Application to Multiple Analysis Profiling and Surface Plasmonic Analysis of Anti-Candida albicans Antibody Reactivity against α and β (1→2) Oligomannosides

  摘要：

  As a part of our glycoantigen synthetic program for diagnosis and basic analysis of yeast-related pathogenic mechanisms, a library of 1-->2 oligomannosides suitable for immunoanalysis was prepared. The use of biotin sulfone, an oxidized form of biotin, offers a convenient solution for both oligosaccharide synthesis and immobilization on microspheres and surface plasmon resonance sensors. The application of this new strategy for the analysis of anti-Candida albicans antibody response through multiple-analyte profiling technology (Luminex) and with surface plasmonic analysis using biotin tagged synthetic oligosaccharides on avidin coated surfaces was validated using monoclonal antibodies.

  DOI：

  10.1021/jm800099g

文献信息

• QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF
  申请人：Kelley Mark R.

  公开号：US20100297113A1

  公开（公告）日：2010-11-25

  This application describes quinone derivatives which target the redox site of Ape1/Ref1. Also included in the invention are pharmaceutical formulations containing the derivatives and therapeutic uses of the derivatives.

  这个应用描述了目标为Ape1/Ref1的氧化还原位点的醌衍生物。发明还包括含有这些衍生物的药物制剂和这些衍生物的治疗用途。
• US9089605B2
  申请人：——

  公开号：US9089605B2

  公开（公告）日：2015-07-28
• Biotin Sulfone as a New Tool for Synthetic Oligosaccharide Immobilization: Application to Multiple Analysis Profiling and Surface Plasmonic Analysis of Anti-<i>Candida albicans</i> Antibody Reactivity against α and β (1→2) Oligomannosides
  作者：Mayeul Collot、Boualem Sendid、Aurélie Fievez、Camille Savaux、Annie Standaert-Vitse、Marc Tabouret、Anne Sophie Drucbert、Pierre Marie Danzé、Daniel Poulain、Jean-Maurice Mallet

  DOI：10.1021/jm800099g

  日期：2008.10.9

  As a part of our glycoantigen synthetic program for diagnosis and basic analysis of yeast-related pathogenic mechanisms, a library of 1-->2 oligomannosides suitable for immunoanalysis was prepared. The use of biotin sulfone, an oxidized form of biotin, offers a convenient solution for both oligosaccharide synthesis and immobilization on microspheres and surface plasmon resonance sensors. The application of this new strategy for the analysis of anti-Candida albicans antibody response through multiple-analyte profiling technology (Luminex) and with surface plasmonic analysis using biotin tagged synthetic oligosaccharides on avidin coated surfaces was validated using monoclonal antibodies.