| 1044505-28-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• CAS: 1044505-28-3
• 化学式: C₃₇H₄₃N₅O₁₂S₂
• 分子量: 813.907
• InChiKey: BQXILMTVHNWXNI-FIRIVFDPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.58
• 重原子数：
  56.0
• 可旋转键数：
  19.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  216.33
• 氢给体数：
  2.0
• 氢受体数：
  15.0

反应信息

• 作为反应物：
  描述：

  在 sodium hydrogen selenide 作用下， 以 1,4-二氧六环 、 水 为溶剂， 以68.5%的产率得到N-(9-(6-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-1,4-oxaselenan-2-yl)-6-oxo-6,9-dihydro-1H-purin-2-yl)isobutyramide
  参考文献：
  名称：

  Synthesis and Biological Evaluation of Novel Selenonucleosides

  摘要：

  A series of novel selenonucleoside analogues with 1,4-oxaselenane as the carbohydrate fragment has been synthesized from their corresponding dimesylated seconucleosides treated with NaHSe solution and subsequent deprotection. The synthesized selenonucleoside analogues were evaluated as potential antitumor agents.

  DOI：

  10.1080/15257770802088803
• 作为产物：
  描述：

  5'-O-(4,4'-dimethoxytrityl)-2-N-isobutyryl-2',3'-secoguanosine 、 甲基磺酰氯 在 吡啶 作用下， 生成
  参考文献：
  名称：

  Synthesis and Biological Evaluation of Novel Selenonucleosides

  摘要：

  A series of novel selenonucleoside analogues with 1,4-oxaselenane as the carbohydrate fragment has been synthesized from their corresponding dimesylated seconucleosides treated with NaHSe solution and subsequent deprotection. The synthesized selenonucleoside analogues were evaluated as potential antitumor agents.

  DOI：

  10.1080/15257770802088803