1-[(6aR,8R,9R,9aS)-9-hydroxy-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]-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]pyrimidine-2,4-dione | 285549-60-2

• 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: 1-[(6aR,8R,9R,9aS)-9-hydroxy-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]-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]pyrimidine-2,4-dione
• CAS: 285549-60-2
• 化学式: C₄₃H₅₈N₂O₁₀Si₂
• 分子量: 819.112
• InChiKey: UDEQZHKFLKYEOV-UMYSDCIHSA-N

物化性质

• 密度：
  1.22±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.28
• 重原子数：
  57
• 可旋转键数：
  13
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  134
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  1-[(6aR,8R,9R,9aS)-9-hydroxy-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]-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]pyrimidine-2,4-dione 在 二氯乙酸 、 吡咯 、 3 A molecular sieve 、 氰化汞 、 di(1H-imidazol-2-yl)methanethione 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 40.08h， 生成 [(2R,3R,4R,5R,6R)-6-[[1-[(6aR,8R,9aS)-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]-2,4-dioxopyrimidin-5-yl]methoxy]-4-acetyloxy-5-[(2,2,2-trifluoroacetyl)amino]-2-[[(2,2,2-trifluoroacetyl)amino]methyl]oxan-3-yl] acetate
  参考文献：
  名称：

  Synthesis of Aminoglycoside-Modified Oligonucleotides

  摘要：

  [GRAPHICS]To study the structural requirements of aminoglycoside binding to nucleic acids, compound 1-an analogue of the naturally occurring nucleoside J-was synthesized, When incorporated into oligodeoxynucleotides, 1 leads to thermal stabilization of the resulting duplexes. The increase in pairing affinity is stronger with complementary RNA than with DNA.

  DOI：

  10.1021/ol005797d
• 作为产物：
  描述：

  5-羟甲基脲嘧啶 在 吡啶 、 苯磺酰胺 、 4-二甲氨基吡啶 、 三氟甲磺酸三甲基硅酯 、 sodium carbonate 作用下， 以 吡啶 、 甲醇 、 乙腈 为溶剂， 反应 44.0h， 生成 1-[(6aR,8R,9R,9aS)-9-hydroxy-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]-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]pyrimidine-2,4-dione
  参考文献：
  名称：

  Synthesis of Aminoglycoside-Modified Oligonucleotides

  摘要：

  [GRAPHICS]To study the structural requirements of aminoglycoside binding to nucleic acids, compound 1-an analogue of the naturally occurring nucleoside J-was synthesized, When incorporated into oligodeoxynucleotides, 1 leads to thermal stabilization of the resulting duplexes. The increase in pairing affinity is stronger with complementary RNA than with DNA.

  DOI：

  10.1021/ol005797d

文献信息

• Synthesis of Aminoglycoside-Modified Oligonucleotides
  作者：Rolf Tona、Reto Bertolini、Jürg Hunziker

  DOI：10.1021/ol005797d

  日期：2000.6.1

  [GRAPHICS]To study the structural requirements of aminoglycoside binding to nucleic acids, compound 1-an analogue of the naturally occurring nucleoside J-was synthesized, When incorporated into oligodeoxynucleotides, 1 leads to thermal stabilization of the resulting duplexes. The increase in pairing affinity is stronger with complementary RNA than with DNA.