calcium 2,5-dihydroxybenzenesulfonate pentahydrate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: calcium 2,5-dihydroxybenzenesulfonate pentahydrate
• 英文别名: calcium dobesilate pentahydrate；calcium;4-hydroxy-2-sulfophenolate;hydrate
• 化学式: 2C₆H₅O₅S*Ca*5H₂O
• 分子量: 508.492
• InChiKey: ZRAQPZKUTXXFDW-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.2
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  107
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  calcium 2,5-dihydroxybenzenesulfonate pentahydrate 在 magnesium sulfate 作用下， 生成 magnesium 2,5-dihydroxybenzenesulfonate decahydrate
  参考文献：
  名称：

  Aminopeptidase N inhibition could be involved in the anti-angiogenic effect of dobesilates

  摘要：

  Calcium, magnesium and zinc 2,5-dihydroxybenzenesulfonates (dobesilates) were synthesized by sulfonation of hydroquinone with sulfuric acid under mild conditions. To form the salts, neutralization with calcium carbonate followed by cation exchange by means of magnesium or zinc sulfates was performed. The dobesilates were characterized by standard spectral methods and by AAS for metal content and then tested for inhibitory activity against aminopeptidase N. The calcium and magnesium 2,5-dihydroxybenzenesulfonates exhibited rather weak inhibitory activity to aminopeptidase N, as demonstrated by the IC50 values of 978.0 and 832.1 mu mol L-1, respectively, while zinc 2,5-dihydroxybenzenesulfonate reached a more significant inhibitory activity characterized by an IC50 value of 77.4 mu mol L-1. The results of the inhibition activity suggest that the inhibition of aminopeptidase N could play a role in the anti-angiogenic activity of 2,5-dihydroxybenzenesulfonates.

  DOI：

  10.2298/jsc131128032f
• 作为产物：
  描述：

  对苯二酚 在 硫酸 、 calcium carbonate 作用下， 以 水 为溶剂， 反应 1.0h， 生成 calcium 2,5-dihydroxybenzenesulfonate pentahydrate
  参考文献：
  名称：

  Aminopeptidase N inhibition could be involved in the anti-angiogenic effect of dobesilates

  摘要：

  Calcium, magnesium and zinc 2,5-dihydroxybenzenesulfonates (dobesilates) were synthesized by sulfonation of hydroquinone with sulfuric acid under mild conditions. To form the salts, neutralization with calcium carbonate followed by cation exchange by means of magnesium or zinc sulfates was performed. The dobesilates were characterized by standard spectral methods and by AAS for metal content and then tested for inhibitory activity against aminopeptidase N. The calcium and magnesium 2,5-dihydroxybenzenesulfonates exhibited rather weak inhibitory activity to aminopeptidase N, as demonstrated by the IC50 values of 978.0 and 832.1 mu mol L-1, respectively, while zinc 2,5-dihydroxybenzenesulfonate reached a more significant inhibitory activity characterized by an IC50 value of 77.4 mu mol L-1. The results of the inhibition activity suggest that the inhibition of aminopeptidase N could play a role in the anti-angiogenic activity of 2,5-dihydroxybenzenesulfonates.

  DOI：

  10.2298/jsc131128032f

文献信息

• Aminopeptidase N inhibition could be involved in the anti-angiogenic effect of dobesilates
  作者：Oldřich Farsa、Sárka Sedláková、Jana Podlipná、Jaroslav Maxa

  DOI：10.2298/jsc131128032f

  日期：——

  Calcium, magnesium and zinc 2,5-dihydroxybenzenesulfonates (dobesilates) were synthesized by sulfonation of hydroquinone with sulfuric acid under mild conditions. To form the salts, neutralization with calcium carbonate followed by cation exchange by means of magnesium or zinc sulfates was performed. The dobesilates were characterized by standard spectral methods and by AAS for metal content and then tested for inhibitory activity against aminopeptidase N. The calcium and magnesium 2,5-dihydroxybenzenesulfonates exhibited rather weak inhibitory activity to aminopeptidase N, as demonstrated by the IC50 values of 978.0 and 832.1 mu mol L-1, respectively, while zinc 2,5-dihydroxybenzenesulfonate reached a more significant inhibitory activity characterized by an IC50 value of 77.4 mu mol L-1. The results of the inhibition activity suggest that the inhibition of aminopeptidase N could play a role in the anti-angiogenic activity of 2,5-dihydroxybenzenesulfonates.