Diphenyl-carbamic acid 4-(dibutylamino-methyleneamino)-1-((2R,4S,5R)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl ester | 245759-71-1

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: Diphenyl-carbamic acid 4-(dibutylamino-methyleneamino)-1-((2R,4S,5R)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl ester
• CAS: 245759-71-1
• 化学式: C₃₂H₃₉N₇O₅
• 分子量: 601.706
• InChiKey: XFAAXPRTLLBEID-UPRLRBBYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.37
• 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：
  0.41
• 拓扑面积：
  138.43
• 氢给体数：
  2.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  Diphenyl-carbamic acid 4-(dibutylamino-methyleneamino)-1-((2R,4S,5R)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl ester 生成
  参考文献：
  名称：

  PARALLEL DNA CONTAINING PYRAZOLO[3,4-D]PYRIMIDINE ANALOGUES OF ISOGUANINE

  摘要：

  The phosphoramidites of 8-aza-7-deaza-2'-deoxyisoguanosine (1a) and its bromo derivative 1b as well as of 6-aza-2-deoxyisocytidine and its 5-methyl derivative (3a,b) were synthesized. Parallel-stranded duplexes containing the nucleosides 1a,b show a significantly enhanced duplex stability compared to those containing 2'-deoxyisoguanosine.

  DOI：

  10.1081/ncn-100002537
• 作为产物：
  描述：

  1-(2-deoxy-β-D-erythro-pentofuranosyl)-4,6-diamino-1H-pyrazolo[3,4-d]pyrimidine 在 溶剂黄146 、 sodium nitrite 作用下， 生成 Diphenyl-carbamic acid 4-(dibutylamino-methyleneamino)-1-((2R,4S,5R)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-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