Methanone, (4-((2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl)oxy)phenyl)(4-nitrophenyl)-, hydrate | 83357-15-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Methanone, (4-((2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl)oxy)phenyl)(4-nitrophenyl)-, hydrate
• 英文别名: N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[4-(4-nitrobenzoyl)phenoxy]oxan-3-yl]acetamide
• CAS: 83357-15-7
• 化学式: C₂₁H₂₂N₂O₉
• 分子量: 446.414
• InChiKey: AQWXPRPAECFWTN-XGAGZNTDSA-N

物化性质

• 沸点：
  787.8±60.0 °C(Predicted)
• 密度：
  1.49±0.1 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：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  171
• 氢给体数：
  4
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  2-乙酰氨基-3,4,6-三-O-乙酰-2-脱氧-α-D-吡喃葡萄糖酰基氯 在 sodium methylate 、 sodium hydride 作用下， 以 甲醇 为溶剂， 反应 7.0h， 生成 Methanone, (4-((2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl)oxy)phenyl)(4-nitrophenyl)-, hydrate
  参考文献：
  名称：

  Glycosylated derivatives of benzophenone, benzhydrol and benzhydril as potential venous antithrombotic agents

  摘要：

  A series of glycosylated derivatives of benzophenone, benzhydrol, and benzhydril has been synthesized and evaluated for potential activity as venous antithrombotic agents. Studies on structure-activity relationships revealed that compounds having an electron-withdrawing group in the benzhydril or benzhydrol moiety, and specifically those having the beta-D-xylopyranosyl structure in the sugar moiety, were good antithrombotic agents in a rat model of venous thrombosis.

  DOI：

  10.1021/jm00059a015

文献信息

• Nouveaux composés appartenant à la famille des benzoyl- et alpha-hydroxybenzyl-phényl-osides, leur procédé de préparation et leur application en thérapeutique
  申请人：SOCIETE DE RECHERCHES INDUSTRIELLES S.O.R.I. Société anonyme dite:

  公开号：EP0051023B1

  公开（公告）日：1984-05-30
• US4432973A
  申请人：——

  公开号：US4432973A

  公开（公告）日：1984-02-21
• Glycosylated derivatives of benzophenone, benzhydrol and benzhydril as potential venous antithrombotic agents
  作者：Francois Bellamy、Derek Horton、Jean Millet、Francois Picart、Soth Samreth、Jean Bernard Chazan

  DOI：10.1021/jm00059a015

  日期：1993.4

  A series of glycosylated derivatives of benzophenone, benzhydrol, and benzhydril has been synthesized and evaluated for potential activity as venous antithrombotic agents. Studies on structure-activity relationships revealed that compounds having an electron-withdrawing group in the benzhydril or benzhydrol moiety, and specifically those having the beta-D-xylopyranosyl structure in the sugar moiety, were good antithrombotic agents in a rat model of venous thrombosis.