N-[(2R,3R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-2-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]-2-[6-(methylamino)-1,3-dioxobenzo[de]isoquinolin-2-yl]acetamide | 477974-65-5

• 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: N-[(2R,3R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-2-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]-2-[6-(methylamino)-1,3-dioxobenzo[de]isoquinolin-2-yl]acetamide
• CAS: 477974-65-5
• 化学式: C₄₅H₄₁N₅O₁₀
• 分子量: 811.848
• InChiKey: ZFLGCVGUNGPHIP-LHMMHJEOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  60
• 可旋转键数：
  13
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  185
• 氢给体数：
  4
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  氯(二异丙基氨基)甲氧基膦 、 N-[(2R,3R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-2-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]-2-[6-(methylamino)-1,3-dioxobenzo[de]isoquinolin-2-yl]acetamide 在 吡啶 、 N,N-二异丙基乙胺 作用下， 反应 16.0h， 生成 N-[(2R,3R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-2-(2,4-dioxopyrimidin-1-yl)-4-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxyoxolan-3-yl]-2-[6-(methylamino)-1,3-dioxobenzo[de]isoquinolin-2-yl]acetamide
  参考文献：
  名称：

  Synthesis of ODNs Containing 4-Methylamino-1,8-naphthalimide as a fluorescence probe in DNA

  摘要：

  Synthesis and fluorescence properties of oligodeoxynucleotides containing 4-methylamino-1,8-naphthalimide (NI) have been described. NI was successfully incorporated into DNA without significant destabilization of DNA whilst retaining its high fluorescence quantum yield. The attachment site of the NI greatly affected its property as an energy acceptor in FRET analysis. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00404-3
• 作为产物：
  描述：

  4-bromo-1,8-naphthaloylglycine 在 吡啶 、 1-羟基苯并三唑 、 copper(II) sulfate 、 N,N'-二环己基碳二亚胺 作用下， 以 N,N-二甲基乙酰胺 、 N,N-二甲基甲酰胺 为溶剂， 反应 49.0h， 生成 N-[(2R,3R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-2-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]-2-[6-(methylamino)-1,3-dioxobenzo[de]isoquinolin-2-yl]acetamide
  参考文献：
  名称：

  Synthesis of ODNs Containing 4-Methylamino-1,8-naphthalimide as a fluorescence probe in DNA

  摘要：

  Synthesis and fluorescence properties of oligodeoxynucleotides containing 4-methylamino-1,8-naphthalimide (NI) have been described. NI was successfully incorporated into DNA without significant destabilization of DNA whilst retaining its high fluorescence quantum yield. The attachment site of the NI greatly affected its property as an energy acceptor in FRET analysis. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00404-3

文献信息

• Synthesis of ODNs Containing 4-Methylamino-1,8-naphthalimide as a fluorescence probe in DNA
  作者：Kiyohiko Kawai、Kazuhiro Kawabata、Sachiko Tojo、Tetsuro Majima

  DOI：10.1016/s0960-894x(02)00404-3

  日期：2002.9

  Synthesis and fluorescence properties of oligodeoxynucleotides containing 4-methylamino-1,8-naphthalimide (NI) have been described. NI was successfully incorporated into DNA without significant destabilization of DNA whilst retaining its high fluorescence quantum yield. The attachment site of the NI greatly affected its property as an energy acceptor in FRET analysis. (C) 2002 Elsevier Science Ltd. All rights reserved.