2-[[2-[[9H-fluoren-9-ylmethoxy(hydroxy)methylidene]amino]phenyl]methyl-[2-[6-[[hydroxy(phenylmethoxy)methylidene]amino]purin-9-yl]acetyl]amino]-N-[2-[[[2-[6-hydroxy-2-[[hydroxy(phenylmethoxy)methylidene]amino]purin-9-yl]acetyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]phenyl]ethanimidic acid | 399565-02-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: 2-[[2-[[9H-fluoren-9-ylmethoxy(hydroxy)methylidene]amino]phenyl]methyl-[2-[6-[[hydroxy(phenylmethoxy)methylidene]amino]purin-9-yl]acetyl]amino]-N-[2-[[[2-[6-hydroxy-2-[[hydroxy(phenylmethoxy)methylidene]amino]purin-9-yl]acetyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]phenyl]ethanimidic acid
• CAS: 399565-02-7
• 化学式: C₆₇H₆₂N₁₄O₁₂
• 分子量: 1255.32
• InChiKey: VWGVSGSZRLABOY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.8
• 重原子数：
  93
• 可旋转键数：
  27
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  332
• 氢给体数：
  5
• 氢受体数：
  22

反应信息

• 作为反应物：
  描述：

  2-[[2-[[9H-fluoren-9-ylmethoxy(hydroxy)methylidene]amino]phenyl]methyl-[2-[6-[[hydroxy(phenylmethoxy)methylidene]amino]purin-9-yl]acetyl]amino]-N-[2-[[[2-[6-hydroxy-2-[[hydroxy(phenylmethoxy)methylidene]amino]purin-9-yl]acetyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]phenyl]ethanimidic acid 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 以97%的产率得到2-[[2-[[2-[[2-[[9H-fluoren-9-ylmethoxy(hydroxy)methylidene]amino]phenyl]methyl-[2-[6-[[hydroxy(phenylmethoxy)methylidene]amino]purin-9-yl]acetyl]amino]-1-hydroxyethylidene]amino]phenyl]methyl-[2-[6-hydroxy-2-[[hydroxy(phenylmethoxy)methylidene]amino]purin-9-yl]acetyl]amino]acetic acid
  参考文献：
  名称：

  Hybridization Properties of Aromatic Peptide Nucleic Acids:  A Novel Class of Oligonucleotide Analogues

  摘要：

  [GRAPHICS]The synthesis of APNA-PNA chimeras containing all four DNA bases will be described. The hybridization properties of APNA-PNA chimeras with DNA and RNA are consistent with plausible intramolecular interactions that could preorganize the oligomers in a duplex or triplex structure with complementary DNA or RNA.

  DOI：

  10.1021/ol010231q
• 作为产物：
  描述：

  1,6-二氢-6-氧代-2-[[(苯甲氧基)羰基]氨基]-9H-嘌呤-9-乙酸 在 四(三苯基膦)钯 2,4,6-三甲基吡啶 、 N-羟基-7-氮杂苯并三氮唑 、 三正丁基氢锡 、 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 为溶剂， 生成 2-[[2-[[9H-fluoren-9-ylmethoxy(hydroxy)methylidene]amino]phenyl]methyl-[2-[6-[[hydroxy(phenylmethoxy)methylidene]amino]purin-9-yl]acetyl]amino]-N-[2-[[[2-[6-hydroxy-2-[[hydroxy(phenylmethoxy)methylidene]amino]purin-9-yl]acetyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]phenyl]ethanimidic acid
  参考文献：
  名称：

  Hybridization Properties of Aromatic Peptide Nucleic Acids:  A Novel Class of Oligonucleotide Analogues

  摘要：

  [GRAPHICS]The synthesis of APNA-PNA chimeras containing all four DNA bases will be described. The hybridization properties of APNA-PNA chimeras with DNA and RNA are consistent with plausible intramolecular interactions that could preorganize the oligomers in a duplex or triplex structure with complementary DNA or RNA.

  DOI：

  10.1021/ol010231q

文献信息

• Hybridization Properties of Aromatic Peptide Nucleic Acids:  A Novel Class of Oligonucleotide Analogues
  作者：Lee D. Fader、Youla S. Tsantrizos

  DOI：10.1021/ol010231q

  日期：2002.1.1

  [GRAPHICS]The synthesis of APNA-PNA chimeras containing all four DNA bases will be described. The hybridization properties of APNA-PNA chimeras with DNA and RNA are consistent with plausible intramolecular interactions that could preorganize the oligomers in a duplex or triplex structure with complementary DNA or RNA.