7-<2.3-O-Carbonyl-α-noviosyloxy>-4-hydroxy-8-methyl-3-phenylazo-cumarin | 102288-00-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 7-<2.3-O-Carbonyl-α-noviosyloxy>-4-hydroxy-8-methyl-3-phenylazo-cumarin
• CAS: 102288-00-6
• 化学式: C₂₅H₂₄N₂O₉
• 分子量: 496.474
• InChiKey: KNVDFQUNNXUJTL-ZZLPTCMGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.66
• 重原子数：
  36.0
• 可旋转键数：
  5.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  138.38
• 氢给体数：
  1.0
• 氢受体数：
  11.0

反应信息

• 作为反应物：
  描述：

  7-<2.3-O-Carbonyl-α-noviosyloxy>-4-hydroxy-8-methyl-3-phenylazo-cumarin 在 palladium on activated charcoal 氢气 作用下， 生成 3-Amino-7-<2,3-O-carbonyl-α-noviosyloxy>-4-hydroxy-8-methyl-cumarin
  参考文献：
  名称：

  Syntheses of photolabile novobiocin analogues

  摘要：

  Novobiocin was recently shown to inhibit Hsp90 through a previously unrecognized C-terminal ATP binding site. Although the N-terminal region of Hsp90 has been solved by X-ray crystallography, the C-terminal region has not. In an effort to elucidate the C-terminal binding site of Hsp90, four photolabile analogues of novobiocin were prepared. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.09.017
• 作为产物：
  描述：

  4,7-dihydroxy-8-methyl-2H-1-benzopyran-2-one 在 三氟化硼乙醚 作用下， 生成 7-<2.3-O-Carbonyl-α-noviosyloxy>-4-hydroxy-8-methyl-3-phenylazo-cumarin
  参考文献：
  名称：

  Syntheses of photolabile novobiocin analogues

  摘要：

  Novobiocin was recently shown to inhibit Hsp90 through a previously unrecognized C-terminal ATP binding site. Although the N-terminal region of Hsp90 has been solved by X-ray crystallography, the C-terminal region has not. In an effort to elucidate the C-terminal binding site of Hsp90, four photolabile analogues of novobiocin were prepared. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.09.017