2-allyloxy-6-isobutyrylamino-9-[2-deoxy-β-D-erythro-pentofuranosyl]-9H-purine | 916755-75-4

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘌呤核苷
• 英文名称: 2-allyloxy-6-isobutyrylamino-9-[2-deoxy-β-D-erythro-pentofuranosyl]-9H-purine
• CAS: 916755-75-4
• 化学式: C₁₇H₂₃N₅O₅
• 分子量: 377.4
• InChiKey: LJEYOZNIGDZKNO-QJPTWQEYSA-N

物化性质

• 密度：
  1.49±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.63
• 重原子数：
  27.0
• 可旋转键数：
  7.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  131.62
• 氢给体数：
  3.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  4,4'-双甲氧基三苯甲基氯 、 2-allyloxy-6-isobutyrylamino-9-[2-deoxy-β-D-erythro-pentofuranosyl]-9H-purine 生成
  参考文献：
  名称：

  Oligonucleotides Containing Consecutive 2′-Deoxy-Isoguanosine Residues: Synthesis, Parallel Duplex Formation and Identification of a d(T₄iG₄T₄) Tetraplex

  摘要：

  Oligonucleotides containing consecutive 2'-deoxyisoguanosines were synthesized by using building blocks protected with a diphenylcarb-amoyl residue. Parallel duplexes were formed by iG(d)-dC base pairs and a tetraplex of d(T(4)iG(4)T(4)) was identified by ion exchange HPLC.

  DOI：

  10.1080/07328319708006221
• 作为产物：
  描述：

  克拉屈滨 在 三甲基氯硅烷 作用下， 生成 2-allyloxy-6-isobutyrylamino-9-[2-deoxy-β-D-erythro-pentofuranosyl]-9H-purine
  参考文献：
  名称：

  Oligonucleotides Containing Consecutive 2′-Deoxy-Isoguanosine Residues: Synthesis, Parallel Duplex Formation and Identification of a d(T₄iG₄T₄) Tetraplex

  摘要：

  Oligonucleotides containing consecutive 2'-deoxyisoguanosines were synthesized by using building blocks protected with a diphenylcarb-amoyl residue. Parallel duplexes were formed by iG(d)-dC base pairs and a tetraplex of d(T(4)iG(4)T(4)) was identified by ion exchange HPLC.

  DOI：

  10.1080/07328319708006221

文献信息

• pH-Independent triplex formation: hairpin DNA containing isoguanine or 9-deaza-9-propynylguanine in place of protonated cytosine
  作者：Frank Seela、Khalil I. Shaikh

  DOI：10.1039/b610930f

  日期：——

  (2), 7-bromo-7-deaza-2'-deoxyisoguanosine (2) as well as the propynylated 9-deazaguanine N7-(2'-deoxyribonucleoside) were prepared. For this the phosphoramidites 9a, b of the nucleoside 1 and, the phosphoramidites 19, 20 of compound 3b were synthesized. They were employed in solid-phase oligonucleotide synthesis to yield the protected 31-mer oligonucleotides. The deblocking of the allyl-protected oligonucleotides

  制备了包含2'-脱氧异鸟苷（2），7-溴-7-脱氮基2'-脱氧异鸟苷（2）以及丙烯酰化的9-脱氮鸟嘌呤N7-（2'-脱氧核糖核苷）的三链体形成寡核苷酸（TFO）。为此，合成了核苷1的亚磷酰胺9a，b以及化合物3b的亚磷酰胺19、20。它们被用于固相寡核苷酸合成中以产生受保护的31聚体寡核苷酸。通过Pd（0）[PPh3] 4-PPh3，然后用25％aq。水溶液进行含1的烯丙基保护的寡核苷酸的解封闭。NH3。通过紫外熔融曲线分析研究了31聚体单链分子内三链体的形成。在单链31-mer寡核苷酸中，dCH（+）-dG-dC基础三联体中的质子化dC被2'-脱氧异鸟苷（1），7-bromo-7-deaza-2'取代 -deoxyisoguanosine（2）和9-deaza-9-propynylguanine N7-（2'-deoxyribonucleoside）（3b）。用化合物1和3b取代质子化的