| 117678-81-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• CAS: 117678-81-6
• 化学式: C₅₂H₄₃N₅O₁₀
• 分子量: 897.941
• InChiKey: GOBDVOMUDAXFNF-ZQYOHPNZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.75
• 重原子数：
  67.0
• 可旋转键数：
  15.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  182.19
• 氢给体数：
  2.0
• 氢受体数：
  13.0

反应信息

• 作为反应物：
  描述：

  在 三氯乙酸 作用下， 以 氯仿 为溶剂， 反应 0.25h， 生成 [(2R,3R,4R,5R)-5-(2-benzamido-6-oxo-3H-purin-9-yl)-4-benzoyloxy-2-(hydroxymethyl)oxolan-3-yl] benzoate
  参考文献：
  名称：

  Losse, Guenter; Stang, Norbert, Liebigs Annalen der Chemie, 1989, p. 19 - 24

  摘要：

  DOI：
• 作为产物：
  描述：

  在 吡啶 、 4-二甲氨基吡啶 作用下， 反应 3.5h， 生成
  参考文献：
  名称：

  Synthesis, characterization, and biological properties of small branched RNA fragments containing chiral (R_pand S_p) 2′,5′-phosphorothioate linkages

  摘要：

  Synthetic branched RNA fragments were prepared to examine the stereochemical requirements for hydrolysis of RNA lariats by the yeast debranching enzyme (yDBR). Specifically, two branched trinucleoside diphosphates and a tetranucleoside triphosphate containing a 2',5'-linked phosphorothioate linkage of defined stereochemistry, namely R-p-A(2'ps5'G)pC, S-p-A(2'ps5'G)pC and S-p-ApA(2'ps5'G)pC, were prepared via solution-phase methods. Unlike the all-phosphodiester control, A(2'p5'G)pC, the R-p-thioated trimer was not cleaved by yDBR, demonstrating that changing the pro-R-p oxygen at the 2',5'-phosphodiester bond averts hydrolysis by the enzyme. In contrast, the S-p branched compounds (trimer and tetramer) were cleaved yDBR, albeit with reduced efficiency relative to the corresponding all-phosphodiester branched compounds. Furthermore, the small branched RNAs (5 nt) were not cleaved as efficiently as a 18-nt bRNA, suggesting that the enzyme appears to have a stronger preference for larger bRNA substrates. The non-hydrolyzable branched RNA fragments prepared during these studies may be promising candidates for the future co-crystallization and X-ray analyses of DBR:bRNA complexes.

  DOI：

  10.1080/15257770500447004