2'-deoxy-6-N-(4-nitrobenzyl)adenosine | 56527-33-4

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘌呤核苷
• 英文名称: 2'-deoxy-6-N-(4-nitrobenzyl)adenosine
• 英文别名: N⁶-(4-nitro-benzyl)-2'-deoxy-adenosine；2'-Deoxy-N6-p-nitrobenzyladenosin；2'-Deoxy-N-[(4-nitrophenyl)methyl]adenosine；(2R,3S,5R)-2-(hydroxymethyl)-5-[6-[(4-nitrophenyl)methylamino]purin-9-yl]oxolan-3-ol
• CAS: 56527-33-4
• 化学式: C₁₇H₁₈N₆O₅
• 分子量: 386.367
• InChiKey: QLQLOKAYYQYREM-BFHYXJOUSA-N

物化性质

• 沸点：
  733.9±70.0 °C(Predicted)
• 密度：
  1.69±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  151
• 氢给体数：
  3
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  对硝基溴化苄 、 2'-脱氧腺苷 在 二甲胺 作用下， 生成 2'-deoxy-6-N-(4-nitrobenzyl)adenosine
  参考文献：
  名称：

  Synthesis of Substituted-Benzyl and Sugar-Modified Analogues of 6-N-(4-Nitrobenzyl)adenosine and Their Interactions with “ES” Nucleoside Transport Systems

  摘要：

  Four classes of 6-X-benzylated purine nucleosides, (i) 6-N-(substituted-benzyl)adenosines, (ii) 6-N-(4-nitrobenzyl)adenine nucleosides with modified sugars, (iii) 6-N(S)-(4-azidobenzy1) derivatives of adenosine, 6-thioinosine, and 6-thioguanosine, and (iv) 6-N-{4-N-[acyl(sulfonyl)amino]benzyl} adenosines, were synthesized and their binding interactions with ''es-NT'' (equilibrative, inhibitor-sensitive nucleoside transport) systems were studied. Several tight-binding analogues were found.

  DOI：

  10.1080/15257779408012177