2-(6-((1R,3R,4R,7S)-7-hydroxy-1-(hydroxymethyl)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)hexyl)isoindoline-1,3-dione | 1072417-22-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 2-(6-((1R,3R,4R,7S)-7-hydroxy-1-(hydroxymethyl)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)hexyl)isoindoline-1,3-dione
• CAS: 1072417-22-1
• 化学式: C₂₅H₃₀N₄O₇
• 分子量: 498.536
• InChiKey: XGAGHHDWMRUOAZ-AAYSFUBESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.01
• 重原子数：
  36.0
• 可旋转键数：
  9.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  145.17
• 氢给体数：
  3.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  2-(6-((1R,3R,4R,7S)-7-hydroxy-1-(hydroxymethyl)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)hexyl)isoindoline-1,3-dione 、 4,4'-双甲氧基三苯甲基氯 在 吡啶 作用下， 以56%的产率得到2-(6-((1R,3R,4R,7S)-1-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-7-hydroxy-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)hexyl)isoindoline-1,3-dione
  参考文献：
  名称：

  At Tachment of Cholesterol to Amino-LNA: Synthesis and Hybridization Properties

  摘要：

  Here, we present our synthesis of amino-LNA with a C6-linker and hybridization studies of these. A cholesterol moiety was attached at the end of the C6-linker. This resulted in drastic drops against DNA of the modified oligonucleotide.

  DOI：

  10.1080/15257770701549095
• 作为产物：
  描述：

  6-(1,3-dioxoisoindolin-2-yl)hexanal 、 (1R,3R,4R,7S)-7-hydroxy-1-hydroxymethyl-3-(thymin-1-yl)-2-oxa-5-azabicyclo[2.2.1]heptane 在 sodium cyanoborohydride 作用下， 以 甲醇 为溶剂， 以51%的产率得到2-(6-((1R,3R,4R,7S)-7-hydroxy-1-(hydroxymethyl)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)hexyl)isoindoline-1,3-dione
  参考文献：
  名称：

  At Tachment of Cholesterol to Amino-LNA: Synthesis and Hybridization Properties

  摘要：

  Here, we present our synthesis of amino-LNA with a C6-linker and hybridization studies of these. A cholesterol moiety was attached at the end of the C6-linker. This resulted in drastic drops against DNA of the modified oligonucleotide.

  DOI：

  10.1080/15257770701549095