7-{3-[Bis-(4-methoxy-phenyl)-phenyl-methoxy]-2-hydroxy-propyl}-1,3-dimethyl-3,7-dihydro-purine-2,6-dione

• 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: 7-{3-[Bis-(4-methoxy-phenyl)-phenyl-methoxy]-2-hydroxy-propyl}-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
• 英文别名: 7-[3-[Bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
• 化学式: C₃₁H₃₂N₄O₆
• 分子量: 556.618
• InChiKey: WXDORTTXELZBSO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  41
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  106
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  7-{3-[Bis-(4-methoxy-phenyl)-phenyl-methoxy]-2-hydroxy-propyl}-1,3-dimethyl-3,7-dihydro-purine-2,6-dione 在 咪唑 、 三乙胺 、 三氯化磷 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and Properties of Combinatorial Libraries of Phosphoramidates

  摘要：

  We have assembled a set of combinatorial libraries of phosphoramidates for pharmacological evaluation. A range of functionalized and unfunctionalized diols, representing a variety of diversity elements, were converted into their corresponding dimethoxytrityl H-phosphonate derivatives which were coupled to each other to produce H-phosphonate dimers and trimers. The H-phosphonate diesters were converted into phosphoramidates by reaction with a wide range of primary and secondary amines. Very large libraries (theoretically, in excess of one million compounds) possessing five sites of diversity were generated for use in our drug discovery program. Smaller libraries with lower molecular weights were also prepared in which only two monomeric units were coupled together and converted into their phosphoramidate derivatives. Methods for the attachment of both radioactive and nonradioactive labels, including (32)phosphorus, tritium, and fluorescein, have been developed. Representative single sequences were also prepared and their chemical properties studied.

  DOI：

  10.1021/jo960192+
• 作为产物：
  描述：

  4,4'-双甲氧基三苯甲基氯 、 二羟丙茶碱 在 4-二甲氨基吡啶 作用下， 以 吡啶 为溶剂， 以51%的产率得到7-{3-[Bis-(4-methoxy-phenyl)-phenyl-methoxy]-2-hydroxy-propyl}-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
  参考文献：
  名称：

  Synthesis and Properties of Combinatorial Libraries of Phosphoramidates

  摘要：

  We have assembled a set of combinatorial libraries of phosphoramidates for pharmacological evaluation. A range of functionalized and unfunctionalized diols, representing a variety of diversity elements, were converted into their corresponding dimethoxytrityl H-phosphonate derivatives which were coupled to each other to produce H-phosphonate dimers and trimers. The H-phosphonate diesters were converted into phosphoramidates by reaction with a wide range of primary and secondary amines. Very large libraries (theoretically, in excess of one million compounds) possessing five sites of diversity were generated for use in our drug discovery program. Smaller libraries with lower molecular weights were also prepared in which only two monomeric units were coupled together and converted into their phosphoramidate derivatives. Methods for the attachment of both radioactive and nonradioactive labels, including (32)phosphorus, tritium, and fluorescein, have been developed. Representative single sequences were also prepared and their chemical properties studied.

  DOI：

  10.1021/jo960192+

文献信息

• Synthesis and Properties of Combinatorial Libraries of Phosphoramidates
  作者：Reza Fathi、M. Jonathan Rudolph、Robert G. Gentles、Rina Patel、Eric W. MacMillan、Michael S. Reitman、David Pelham、Alan F. Cook

  DOI：10.1021/jo960192+

  日期：1996.1.1

  We have assembled a set of combinatorial libraries of phosphoramidates for pharmacological evaluation. A range of functionalized and unfunctionalized diols, representing a variety of diversity elements, were converted into their corresponding dimethoxytrityl H-phosphonate derivatives which were coupled to each other to produce H-phosphonate dimers and trimers. The H-phosphonate diesters were converted into phosphoramidates by reaction with a wide range of primary and secondary amines. Very large libraries (theoretically, in excess of one million compounds) possessing five sites of diversity were generated for use in our drug discovery program. Smaller libraries with lower molecular weights were also prepared in which only two monomeric units were coupled together and converted into their phosphoramidate derivatives. Methods for the attachment of both radioactive and nonradioactive labels, including (32)phosphorus, tritium, and fluorescein, have been developed. Representative single sequences were also prepared and their chemical properties studied.