1-Hexyloxy-3-trityloxy-propan-2-ol | 106881-90-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: 1-Hexyloxy-3-trityloxy-propan-2-ol
• 英文别名: 1-Hexoxy-3-trityloxypropan-2-ol
• CAS: 106881-90-7
• 化学式: C₂₈H₃₄O₃
• 分子量: 418.576
• InChiKey: WLZGGPWQRLWONG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  31
• 可旋转键数：
  13
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  38.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-Hexyloxy-3-trityloxy-propan-2-ol 在 硼酸三乙酯 、 硼酸 、 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-Benzyloxy-3-hexyloxy-propan-1-ol
  参考文献：
  名称：

  Structure-activity relationship in PAF-acether. 3. Hydrophobic contribution to agonistic activity

  摘要：

  The synthesis of some selected PAF-acether homologues with an alkoxy-chain length from C1 to C20 in position 1 is described. All agonist activities are closely correlated among themselves and with the calculated fatty-chain hydrophobicity. After a discussion on recent published results and comparison with our data, we conclude that the ether oxide function is absolutely essential at the glycerol 1-position for potent agonist activity and that potency correlates well with hydrophobicity parameters. We indicate the importance of steric and configurational constraints.

  DOI：

  10.1021/jm00388a008
• 作为产物：
  描述：

  2-己氧基丙烷-1,3-二醇 、 三苯基氯甲烷 在 三乙胺 作用下， 以 甲苯 为溶剂， 反应 3.0h， 生成 1-Hexyloxy-3-trityloxy-propan-2-ol
  参考文献：
  名称：

  Structure-activity relationship in PAF-acether. 3. Hydrophobic contribution to agonistic activity

  摘要：

  The synthesis of some selected PAF-acether homologues with an alkoxy-chain length from C1 to C20 in position 1 is described. All agonist activities are closely correlated among themselves and with the calculated fatty-chain hydrophobicity. After a discussion on recent published results and comparison with our data, we conclude that the ether oxide function is absolutely essential at the glycerol 1-position for potent agonist activity and that potency correlates well with hydrophobicity parameters. We indicate the importance of steric and configurational constraints.

  DOI：

  10.1021/jm00388a008

文献信息

• [EN] NUCLEOSIDE-LIPID CONJUGATES, THEIR METHOD OF PREPARATION AND USES THEREOF<br/>[FR] CONJUGUES NUCLEOSIDE-LIPIDE, LEUR PROCEDE DE PREPARATION, ET LEURS UTILISATIONS
  申请人：NEOPHARM INC

  公开号：WO2006029081A2

  公开（公告）日：2006-03-16

  The invention provides methods for synthesizing nucleoside-lipid conjugates having varying fatty acid and alkyl chain lengths with or without unsaturation and their use in the treatment of cancer and viral diseases. More particularly, the invention provides methods for preparing gemcitabine-cardiolipin conjugates, and analogues thereof, cytarabine-cardiolipin conjugates, and analogues thereof. Additionally, the methods of the invention comprise administering a compound of invention as prodrug or a pharmaceutical preparation to combat mammalian diseases, preferably cancer, viral infections and bone disorders.