N-[(2S,5S,6S)-2-(cyanomethylsulfanyl)-4-[(2R,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-5-[(2S,3S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: N-[(2S,5S,6S)-2-(cyanomethylsulfanyl)-4-[(2R,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-5-[(2S,3S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide
• 化学式: C₂₈H₄₆N₂O₁₈S
• 分子量: 730.7
• InChiKey: FLYSXXZWNHTGCP-FXYXXZQMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -5.8
• 重原子数：
  49
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  345
• 氢给体数：
  11
• 氢受体数：
  20

文献信息

• [EN] INFLAMMATION IMAGING AND THERAPY<br/>[FR] IMAGERIE ET THÉRAPIE D'UNE INFLAMMATION
  申请人：ISIS INNOVATION

  公开号：WO2014027203A1

  公开（公告）日：2014-02-20

  An imaging agent comprising a conjugate of an oligosaccharide moiety with an imaging moiety. The oligosaccharide is Lewis A or Lewis B or a mimetic thereof, or a pharmaceutically acceptable salt or PEGylated form of Lewis A or Lewis B or its mimetics. Lewis A and Lewis B and its mimetics are also provided for use in the therapeutic treatment of inflammatory diseases, autoimmune diseases and cancer.

  一种成像剂，包括寡糖基团与成像基团的结合物。该寡糖为Lewis A或Lewis B或其模拟物，或Lewis A或Lewis B或其模拟物的药用盐或PEG化形式。Lewis A和Lewis B及其模拟物还可用于治疗炎症性疾病、自身免疫疾病和癌症。
• INFLAMMATION IMAGING AND THERAPY
  申请人：Isis Innovation Limited

  公开号：US20150231281A1

  公开（公告）日：2015-08-20

  An imaging agent comprising a conjugate of an oligosaccharide moiety with an imaging moiety. The oligosaccharide is Lewis A or Lewis B or a mimetic thereof, or a pharmaceutically acceptable salt or PEGylated form of Lewis A or Lewis B or its mimetics. Lewis A and Lewis B and its mimetics are also provided for use in the therapeutic treatment of inflammatory diseases, autoimmune diseases and cancer.

  一种成像剂，包括具有寡糖基团和成像基团的共轭物。寡糖是Lewis A或Lewis B或其类似体，或者是Lewis A或Lewis B或其类似体的药用盐或PEG化形式。还提供了Lewis A和Lewis B及其类似体，用于治疗炎症性疾病、自身免疫性疾病和癌症。