| 1407534-30-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 1407534-30-8
• 化学式: C₄₉H₇₈Cl₂O₂₂
• 分子量: 1090.05
• InChiKey: DDWOSCPAFOHJHQ-WPQLFNGNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  73.0
• 可旋转键数：
  25.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  264.26
• 氢给体数：
  2.0
• 氢受体数：
  22.0

反应信息

• 作为反应物：
  描述：

  在 四丁基碘化铵 、 碳酸氢钠 、 硫脲 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以87%的产率得到
  参考文献：
  名称：

  Structure–Activity Relationship Study of the Cleistriosides and Cleistetrosides for Antibacterial/Anticancer Activity

  摘要：

  Two known cleistriosides and six known cleistetrosides were synthesized and evaluated for anticancer and antibacterial activities. This study, for the first time, reports anticancer activity and comprehensively the antibacterial activity for these oligosaccharide natural products. In addition, two new unnatural cleistetroside analogues were synthesized and tested. Biological activities for the 10 oligosaccharides against B. subtilis were found to range between 4 and >64 mu M and for NCI-H460 human lung cancer epithelial cells between 7.5 and 90.9 mu M. Similar activities were found for seven of the oligosaccharides against the NCI panel of 60 cell lines. The degree of acylation and location of the specific acetate groups had significant effects on the anticancer and antibacterial activity of both the cleistriosides and the cleistetrosides.

  DOI：

  10.1021/ml300303g
• 作为产物：
  描述：

  在 四氧化锇 、 N-甲基吗啉氧化物 作用下， 以 丙酮 、 叔丁醇 为溶剂， 反应 12.0h， 以80%的产率得到
  参考文献：
  名称：

  Structure–Activity Relationship Study of the Cleistriosides and Cleistetrosides for Antibacterial/Anticancer Activity

  摘要：

  Two known cleistriosides and six known cleistetrosides were synthesized and evaluated for anticancer and antibacterial activities. This study, for the first time, reports anticancer activity and comprehensively the antibacterial activity for these oligosaccharide natural products. In addition, two new unnatural cleistetroside analogues were synthesized and tested. Biological activities for the 10 oligosaccharides against B. subtilis were found to range between 4 and >64 mu M and for NCI-H460 human lung cancer epithelial cells between 7.5 and 90.9 mu M. Similar activities were found for seven of the oligosaccharides against the NCI panel of 60 cell lines. The degree of acylation and location of the specific acetate groups had significant effects on the anticancer and antibacterial activity of both the cleistriosides and the cleistetrosides.

  DOI：

  10.1021/ml300303g