| 1384871-01-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 甘油脂
• CAS: 1384871-01-5
• 化学式: C₃₆H₆₂O₁₁P*Na
• 分子量: 724.845
• InChiKey: BAFYZBODSMKUTC-XWIRJDCTSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  4.04
• 重原子数：
  49.0
• 可旋转键数：
  31.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  160.88
• 氢给体数：
  2.0
• 氢受体数：
  11.0

反应信息

• 作为反应物：
  描述：

  在 Naja mossambica mossambica venom secretory phospholipase A₂ 、 水 作用下， 反应 48.0h， 生成 sodium 1-O-octadecyl-2-hydroxy-sn-glycero-3-phospho-(S)-glycerol
  参考文献：
  名称：

  Synthesis of tocopheryl succinate phospholipid conjugates and monitoring of phospholipase A2 activity

  摘要：

  Tocopheryl succinates (TOSs) are, in contrast to tocopherols, highly cytotoxic against many cancer cells. In this study the enzyme activity of secretory phospholipase A(2) towards various succinate-phospholipid conjugates has been investigated. The synthesis of six novel phospholipids is described, including two TOS phospholipids conjugates. The studies revealed that the TOS conjugates are poor substrates for the enzyme whereas the phospholipids with alkyl and phenyl succinate moieties were hydrolyzed by the enzyme to a high extent. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2012.05.024
• 作为产物：
  描述：

  1-O-octadecyl-2-hydroxy-sn-glycero-3-(2-cyanoethylphospho)-(S)-2,3-O-di-tert-butyldimethylsilyl-glycerol 在 4-二甲氨基吡啶 、 palladium 10% on activated carbon 、 氢氟酸 、 氢气 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 N,N'-二环己基碳二亚胺 作用下， 以 甲醇 、 二氯甲烷 、 水 、 乙酸乙酯 、 乙腈 为溶剂， 反应 8.5h， 生成
  参考文献：
  名称：

  Synthesis of tocopheryl succinate phospholipid conjugates and monitoring of phospholipase A2 activity

  摘要：

  Tocopheryl succinates (TOSs) are, in contrast to tocopherols, highly cytotoxic against many cancer cells. In this study the enzyme activity of secretory phospholipase A(2) towards various succinate-phospholipid conjugates has been investigated. The synthesis of six novel phospholipids is described, including two TOS phospholipids conjugates. The studies revealed that the TOS conjugates are poor substrates for the enzyme whereas the phospholipids with alkyl and phenyl succinate moieties were hydrolyzed by the enzyme to a high extent. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2012.05.024