Diphenyl-carbamic acid 4-amino-1-((2R,4S,5R)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl ester | 376587-70-1

• 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-amino-1-((2R,4S,5R)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl ester
• CAS: 376587-70-1
• 化学式: C₂₃H₂₂N₆O₅
• 分子量: 462.465
• InChiKey: NBJJNZHVFGBRLC-IPMKNSEASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.39
• 重原子数：
  34.0
• 可旋转键数：
  5.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  148.85
• 氢给体数：
  3.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  Diphenyl-carbamic acid 4-amino-1-((2R,4S,5R)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl ester 生成 Diphenyl-carbamic acid 1-{(2R,4S,5R)-5-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-hydroxy-tetrahydro-furan-2-yl}-4-(dibutylamino-methyleneamino)-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
• 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-amino-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