1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-5-(5-oxo-5-pyren-1-ylpent-1-ynyl)pyrimidine-2,4-dione | 796875-95-1

• 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-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-5-(5-oxo-5-pyren-1-ylpent-1-ynyl)pyrimidine-2,4-dione
• CAS: 796875-95-1
• 化学式: C₅₁H₄₂N₂O₈
• 分子量: 810.903
• InChiKey: QPGQFCMCRXPLEQ-VURFOUDESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.4
• 重原子数：
  61
• 可旋转键数：
  13
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  124
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  双(二异丙基氨基)(2-氰基乙氧基)膦 、 1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-5-(5-oxo-5-pyren-1-ylpent-1-ynyl)pyrimidine-2,4-dione 在 四氮唑 作用下， 以 乙腈 为溶剂， 反应 1.0h， 生成 3-[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2,4-dioxo-5-(5-oxo-5-pyren-1-ylpent-1-ynyl)pyrimidin-1-yl]oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
  参考文献：
  名称：

  Synthesis and properties of novel base-discriminating fluorescent (BDF) nucleosides: a highly polarity-sensitive fluorophore for SNP typing

  摘要：

  We have developed novel alkanoylpyrene-labeled BDF nucleosides, U-AMPy and U-MPy. These nucleosides exhibit strong fluorescence emission at long wavelength that is highly sensitive to solvent polarity. BDF probes containing U-AMPy selectively emit fluorescence only when the base opposite BDF nucleoside is adenine and act as effective reporter probes for homogeneous SNP typing. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.09.003
• 作为产物：
  描述：

  炔丙基脲 在 四(三苯基膦)钯 吡啶 、 copper(l) iodide 、 三氯化铝 、 氯化亚砜 、 三乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 生成 1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-5-(5-oxo-5-pyren-1-ylpent-1-ynyl)pyrimidine-2,4-dione
  参考文献：
  名称：

  Synthesis and properties of novel base-discriminating fluorescent (BDF) nucleosides: a highly polarity-sensitive fluorophore for SNP typing

  摘要：

  We have developed novel alkanoylpyrene-labeled BDF nucleosides, U-AMPy and U-MPy. These nucleosides exhibit strong fluorescence emission at long wavelength that is highly sensitive to solvent polarity. BDF probes containing U-AMPy selectively emit fluorescence only when the base opposite BDF nucleoside is adenine and act as effective reporter probes for homogeneous SNP typing. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.09.003