N-(9-{(2R,3R,4R,5R)-5-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-3-bromo-4-hydroxy-tetrahydro-furan-2-yl}-9H-purin-6-yl)-benzamide | 181714-60-3

• 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: N-(9-{(2R,3R,4R,5R)-5-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-3-bromo-4-hydroxy-tetrahydro-furan-2-yl}-9H-purin-6-yl)-benzamide
• CAS: 181714-60-3
• 化学式: C₃₈H₃₄BrN₅O₆
• 分子量: 736.622
• InChiKey: HKBUFLAWSZTFSO-VYUOYPLNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.13
• 重原子数：
  50.0
• 可旋转键数：
  11.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  129.85
• 氢给体数：
  2.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  2-氰乙基N,N-二异丙基氯亚磷酰胺 、 N-(9-{(2R,3R,4R,5R)-5-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-3-bromo-4-hydroxy-tetrahydro-furan-2-yl}-9H-purin-6-yl)-benzamide 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 以69%的产率得到
  参考文献：
  名称：

  Nucleosides and Nucleotides. 153. Effects of 2′-α- and 2′-β-Bromo-2′-deoxyadenosine on Oligonucleotide Hybridization and Nuclease Stability

  摘要：

  1-(2-Bromo-2-deoxyy-beta-D-ribofuranosyl) adenine (1) and 1-(2-bromo-2-deoxy-beta-D-arabinofuranosyl)adenine (2) were incorporated into DNA pentadecamers. The oligonucleotides containing 1 destabilized DNA/DNA and DNA/RNA duplex formation. However, the oligonucleotides containing 2 slightly stabilized DNA/DNA duplex formation, although they decreased the stability of DNA/RNA duplexes. Furthermore, the oligonucleotide containing 2 was more resistant to snake venom phosphodiesterase than an unmodified oligonucleotide (dA)(15) and the oligonucleotide containing 1. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0960-894x(96)00277-6
• 作为产物：
  描述：

  N-[9-[(6aR,8R,9R,9aR)-9-bromo-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-yl]benzamide 在 4-二甲氨基吡啶 、 四丁基氟化铵 、 氨 作用下， 以 吡啶 为溶剂， 生成 N-(9-{(2R,3R,4R,5R)-5-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-3-bromo-4-hydroxy-tetrahydro-furan-2-yl}-9H-purin-6-yl)-benzamide
  参考文献：
  名称：

  Nucleosides and Nucleotides. 153. Effects of 2′-α- and 2′-β-Bromo-2′-deoxyadenosine on Oligonucleotide Hybridization and Nuclease Stability

  摘要：

  1-(2-Bromo-2-deoxyy-beta-D-ribofuranosyl) adenine (1) and 1-(2-bromo-2-deoxy-beta-D-arabinofuranosyl)adenine (2) were incorporated into DNA pentadecamers. The oligonucleotides containing 1 destabilized DNA/DNA and DNA/RNA duplex formation. However, the oligonucleotides containing 2 slightly stabilized DNA/DNA duplex formation, although they decreased the stability of DNA/RNA duplexes. Furthermore, the oligonucleotide containing 2 was more resistant to snake venom phosphodiesterase than an unmodified oligonucleotide (dA)(15) and the oligonucleotide containing 1. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0960-894x(96)00277-6