| 127940-24-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 甘油磷脂
• CAS: 127940-24-3；127997-00-6；127997-02-8
• 化学式: C₅₃H₉₁O₁₃P
• 分子量: 967.271
• InChiKey: XLTLFMBZLVRWTE-JYHUVATISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.41
• 重原子数：
  67.0
• 可旋转键数：
  38.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  154.51
• 氢给体数：
  1.0
• 氢受体数：
  13.0

反应信息

• 作为反应物：
  描述：

  在 四氮唑 、 叔丁基过氧化氢 、 三乙胺 作用下， 生成 [(2R)-2-hexadecanoyloxy-3-[hydroxy-[(2R,3R,5S,6R)-2,3,5,6-tetrahydroxy-4-phosphonooxycyclohexyl]oxyphosphoryl]oxypropyl] hexadecanoate
  参考文献：
  名称：

  Improved syntheses of inositol phospholipid analogues

  摘要：

  DOI：

  10.1016/s0040-4039(01)93785-2
• 作为产物：
  描述：

  3-O-[(T-Butyldiphenylsilyl)]-1,2 在 吡啶 、 氢氧化钾 、 四丁基氟化铵 、 苯甲基-2-磺酰三硝基三氮唑 作用下， 以 四氢呋喃 、 吡啶 、 乙醇 为溶剂， 生成
  参考文献：
  名称：

  Improved syntheses of inositol phospholipid analogues

  摘要：

  DOI：

  10.1016/s0040-4039(01)93785-2

文献信息

• Inhibition of human erythrocyte membrane phosphatidylinositol 4-kinase by phospholipid analogues
  作者：RC Young、CP Downes、M Jones、KJ Milliner、KK Rana、JG Ward

  DOI：10.1016/0223-5234(94)90146-5

  日期：1994.1

  Analogues of phosphatidylinositol (Ptdlns, 1) have been synthesized to investigate the structural requirements for inhibition of a Ptdlns 4-kinase obtained from human erythrocyte membranes. While the presence of either D-1 or D-3 Stereochemistry in the inositol moiety greatly influences the degree of inhibition produced by Ptdlns analogues, the stereochemistry of the glycerol moiety is of little consequence. Neither structural feature, however, makes a significant contribution to binding affinity. Competitive inhibitory activity was found to be retained (or even enhanced) in substantially simpler analogues consisting of 1 or 2 hydrocarbon chains attached to a charged phosphate head group, such as in the phosphatidic acids, 24 and 26. The observation that the phosphatidylinositol 4-phosphate (Ptdlns 4P) and phosphatidic acid analogues (eg, 16 or 17, and 26 respectively) inhibit Ptdlns 4-kinase may suggest that such species have a regulatory role in Ptdlns turnover.