Diphenyl-carbamic acid 4-(dibutylamino-methyleneamino)-7-((2R,4S,5R)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl ester | 245759-70-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Diphenyl-carbamic acid 4-(dibutylamino-methyleneamino)-7-((2R,4S,5R)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl ester
• CAS: 245759-70-0
• 化学式: C₃₃H₄₀N₆O₅
• 分子量: 600.718
• InChiKey: ICBJZZHDRDBZFJ-ZGIBFIJWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.97
• 重原子数：
  44.0
• 可旋转键数：
  13.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  125.54
• 氢给体数：
  2.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  4,4'-双甲氧基三苯甲基氯 、 Diphenyl-carbamic acid 4-(dibutylamino-methyleneamino)-7-((2R,4S,5R)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl ester 以51%的产率得到Diphenyl-carbamic acid 7-{(2R,4S,5R)-5-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-hydroxy-tetrahydro-furan-2-yl}-4-(dibutylamino-methyleneamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl ester
  参考文献：
  名称：

  Parallel-Stranded DNA Formed by New Base Pairs Related to the Isoguanine-Cytosine or Isocytosine-Guanine Motifs

  摘要：

  Parallel-stranded (ps) oligonucleotide duplexes containing several new base pairs formed between 7-deazaisoguanine and cytosine, 8-aza-7-deaza-isoguanine and cytosine, and 5-aza-7-deaza guanine and guanine are described. The stability of the ps-hybrids increased if the duplex contains 8-aza-7-deazaisoguanine instead of isoguanine and is decreased by 7-deazaisoguanine incorporation. The purine-purine base pair between 5-aza-7-deazaguanine and guanine was found to be more stable than that of 5-methylisocytosine with guanine.

  DOI：

  10.1080/07328319908044781
• 作为产物：
  描述：

  2-amino-7-deaza-2'-deoxyadenosine 在 溶剂黄146 、 sodium nitrite 作用下， 生成 Diphenyl-carbamic acid 4-(dibutylamino-methyleneamino)-7-((2R,4S,5R)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl ester
  参考文献：
  名称：

  Parallel-Stranded DNA Formed by New Base Pairs Related to the Isoguanine-Cytosine or Isocytosine-Guanine Motifs

  摘要：

  Parallel-stranded (ps) oligonucleotide duplexes containing several new base pairs formed between 7-deazaisoguanine and cytosine, 8-aza-7-deaza-isoguanine and cytosine, and 5-aza-7-deaza guanine and guanine are described. The stability of the ps-hybrids increased if the duplex contains 8-aza-7-deazaisoguanine instead of isoguanine and is decreased by 7-deazaisoguanine incorporation. The purine-purine base pair between 5-aza-7-deazaguanine and guanine was found to be more stable than that of 5-methylisocytosine with guanine.

  DOI：

  10.1080/07328319908044781