5'-O-trityl-6-N-benzoyladenosine | 18404-90-5

• 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: 5'-O-trityl-6-N-benzoyladenosine
• 英文别名: 5'-O-Trityl-N⁶-benzoyladenosine；N⁶-Benzoyl-55'-O-trityl-adenosin；N⁶-Benzoyl-5'-O-trityl-adenosin；N⁶-benzoyl-O^5'-trityl-adenosine；N-Benzoyl-5'-O-(triphenylmethyl)-Adenosine；N-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(trityloxymethyl)oxolan-2-yl]purin-6-yl]benzamide
• CAS: 18404-90-5
• 化学式: C₃₆H₃₁N₅O₅
• 分子量: 613.673
• InChiKey: CLQLOYVVKMWBIY-JYYIKNSZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  46
• 可旋转键数：
  9
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  132
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  重氮甲烷 、 5'-O-trityl-6-N-benzoyladenosine 在 tin(ll) chloride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 N-[9-((2R,3R,4R,5R)-4-Hydroxy-3-methoxy-5-trityloxymethyl-tetrahydro-furan-2-yl)-9H-purin-6-yl]-benzamide 、 N-[9-((2R,3R,4S,5R)-3-Hydroxy-4-methoxy-5-trityloxymethyl-tetrahydro-furan-2-yl)-9H-purin-6-yl]-benzamide
  参考文献：
  名称：

  Heikkilae, Jarmo; Bjoerkman, Sven; Oeberg, Bo, Acta chemica Scandinavica. Series B: Organic chemistry and biochemistry, 1982, vol. 36, # 10, p. 715 - 718

  摘要：

  DOI：

文献信息

• ANTISENSE NUCLEIC ACID DERIVATIVE
  申请人：SANKYO COMPANY LIMITED

  公开号：EP0558749A1

  公开（公告）日：1993-09-08

  A compound represented by general formula (1), its salt, and antiviral and antitumor drugs containing the same, wherein k is 0 to 20; m is 0 or 1; n is 4 to 29; X represents OH, methyl, sulfhydryl, C₁ to C₄ alkoxy or C₁ to C₆ monoalkylamino; Y and Z represent each O or S; R¹, R² and R³ may be the same or different from each other and each represents H, C₁ to C₆ alkyl, or C₆ to C₁₀ aryl which may have the substitutent(s) of group α; and D and B represent each independently a residue of any of the compounds of group β; provided that m is 0 when k is 0, and a base sequence containing B is complementary to a tumor gene or a virus gene: group α: OH, C₁ to C₆ alkyl, C₁ to C₆ alkoxy, methylenedioxy, nitro, azido, halogen, C₆ to C₁₀ aryl, C₆ to C₁₀ aryloxy, and aralkyloxy composed of a C₆ to C₁₀ aryl moiety and a C₁ to C₂ alkyl moiety, group β: adenine guanine, cytosine and thymine.

  通式(1)代表的化合物、其盐以及含有该通式的抗病毒和抗肿瘤药物，其中 k 为 0 至 20；m 为 0 或 1；n 为 4 至 29；X 代表 OH、甲基、巯基、C₁ 至 C₄ 烷氧基或 C₁ 至 C₆ 单烷基氨基；Y 和 Z 各自代表 O 或 S；R¹、R²和R³可以相同或不同，各自代表H、C₁至C₆烷基或C₆至C₁₀芳基，可具有α基团的取代基；D和B各自独立地代表β基团的任何化合物的残基；条件是当k为0时，m为0，且含有B的碱基序列与肿瘤基因或病毒基因互补：第 α 组OH, C₁ to C₆ alkyl, C₁ to C₆ alkoxy, methylenedioxy, nitro, azido, halogen, C₆ to C₁₀ aryl, C₆ to C₁₀ aryloxy, and aralkyloxy composed of a C₆ to C₁₀ aryl moiety and a C₁ to C₂ alkyl moiety, group β：腺嘌呤、鸟嘌呤、胞嘧啶和胸腺嘧啶。