Tetradecanoic acid 2-(hydroxy-{2-[6-oxo-2-(9-phenyl-9H-xanthen-9-ylamino)-1,6-dihydro-purin-9-ylmethoxy]-ethoxy}-phosphoryloxy)-1-tetradecanoyloxymethyl-ethyl ester; compound with triethyl-amine | 96812-94-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: Tetradecanoic acid 2-(hydroxy-{2-[6-oxo-2-(9-phenyl-9H-xanthen-9-ylamino)-1,6-dihydro-purin-9-ylmethoxy]-ethoxy}-phosphoryloxy)-1-tetradecanoyloxymethyl-ethyl ester; compound with triethyl-amine
• CAS: 96812-94-1
• 化学式: C₆H₁₅N*C₅₈H₈₂N₅O₁₁P
• 分子量: 1157.48
• InChiKey: PEIKSWGMHIMUIH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.94
• 重原子数：
  82.0
• 可旋转键数：
  42.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  205.66
• 氢给体数：
  3.0
• 氢受体数：
  15.0

反应信息

• 作为产物：
  描述：

  Tetradecanoic acid 2-((2-chloro-phenoxy)-{2-[6-oxo-2-(9-phenyl-9H-xanthen-9-ylamino)-1,6-dihydro-purin-9-ylmethoxy]-ethoxy}-phosphoryloxy)-1-tetradecanoyloxymethyl-ethyl ester 在 四丁基氟化铵 作用下， 以 四氢呋喃 、 吡啶 、 水 为溶剂， 反应 6.0h， 以98%的产率得到Tetradecanoic acid 2-(hydroxy-{2-[6-oxo-2-(9-phenyl-9H-xanthen-9-ylamino)-1,6-dihydro-purin-9-ylmethoxy]-ethoxy}-phosphoryloxy)-1-tetradecanoyloxymethyl-ethyl ester; compound with triethyl-amine
  参考文献：
  名称：

  The Chemical Synthesis and Antiviral Properties of an Acyclovir-phospholipid Conjugate.

  摘要：

  The synthesis of acyclovir-phospholipid conjugate (2) is reported through an unambiguous one-step preparation of L-alpha-dimyristoyl phosphatidic acid triethylammonium salt (5). The biological activity of 2 as an antiviral drug has also been investigated.

  DOI：

  10.3891/acta.chem.scand.39b-0047