N-[3-[2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1H-purin-8-yl]prop-2-ynyl]pyrene-1-carboxamide | 760998-33-2

• 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: N-[3-[2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1H-purin-8-yl]prop-2-ynyl]pyrene-1-carboxamide
• CAS: 760998-33-2
• 化学式: C₃₀H₂₄N₆O₅
• 分子量: 548.558
• InChiKey: LMWYHXRYVIZYCB-QZNHQXDQSA-N

物化性质

• 密度：
  1.62±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  41
• 可旋转键数：
  5
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  164
• 氢给体数：
  5
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  N-[3-[2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1H-purin-8-yl]prop-2-ynyl]pyrene-1-carboxamide 在 吡啶 、 四氮唑 作用下， 以 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 4.5h， 生成 Diisopropyl-phosphoramidous acid (2R,3S,5R)-2-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-5-(2-(dimethylamino-methyleneamino)-6-oxo-8-{3-[(pyrene-1-carbonyl)-amino]-prop-1-ynyl}-1,6-dihydro-purin-9-yl)-tetrahydro-furan-3-yl ester 2-cyano-ethyl ester
  参考文献：
  名称：

  A novel fluorescent guanine derivative distinguishable of three structures, single strand, duplex, and quadruplex

  摘要：

  We have constructed a pyrene-labeled guanine base, (8Py)G. (8Py)G is a novel fluorescent probe for monitoring the secondary structure of G-rich DNA. The fluorescence emitted from (8Py)G-labeled oligodeoxynucleotide clearly distinguished three structural states. single strand-duplex-quadruplex. Thus, the technique, which monitors the fluorescence of (8Py)G-labeled oligodeoxynucleotide, is a powerful tool for the investigation of DNA structural changes. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.05.136
• 作为产物：
  描述：

  3',5'-O,O'-bis(tert-butyldimethylsilyl)-8-bromo-2'-deoxyguanosine 在 四(三苯基膦)钯 copper(l) iodide 、 四丁基氟化铵 、 三乙胺 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 1.75h， 生成 N-[3-[2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1H-purin-8-yl]prop-2-ynyl]pyrene-1-carboxamide
  参考文献：
  名称：

  A novel fluorescent guanine derivative distinguishable of three structures, single strand, duplex, and quadruplex

  摘要：

  We have constructed a pyrene-labeled guanine base, (8Py)G. (8Py)G is a novel fluorescent probe for monitoring the secondary structure of G-rich DNA. The fluorescence emitted from (8Py)G-labeled oligodeoxynucleotide clearly distinguished three structural states. single strand-duplex-quadruplex. Thus, the technique, which monitors the fluorescence of (8Py)G-labeled oligodeoxynucleotide, is a powerful tool for the investigation of DNA structural changes. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.05.136

文献信息

• A novel fluorescent guanine derivative distinguishable of three structures, single strand, duplex, and quadruplex
  作者：Akimitsu Okamoto、Keiichiro Kanatani、Yuji Ochi、Yoshio Saito、Isao Saito

  DOI：10.1016/j.tetlet.2004.05.136

  日期：2004.7

  We have constructed a pyrene-labeled guanine base, (8Py)G. (8Py)G is a novel fluorescent probe for monitoring the secondary structure of G-rich DNA. The fluorescence emitted from (8Py)G-labeled oligodeoxynucleotide clearly distinguished three structural states. single strand-duplex-quadruplex. Thus, the technique, which monitors the fluorescence of (8Py)G-labeled oligodeoxynucleotide, is a powerful tool for the investigation of DNA structural changes. (C) 2004 Elsevier Ltd. All rights reserved.