4-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidin-2-one | 196393-37-0

• 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: 4-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidin-2-one
• CAS: 196393-37-0
• 化学式: C₄₁H₅₆N₆O₆
• 分子量: 728.932
• InChiKey: SEYCBKJGEWOTJO-YXWIYCFASA-N

物化性质

• 沸点：
  854.662±75.00 °C(Press: 760.00 Torr)(predicted)
• 密度：
  1.219±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.34
• 重原子数：
  53.0
• 可旋转键数：
  22.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  154.15
• 氢给体数：
  5.0
• 氢受体数：
  12.0

反应信息

• 作为反应物：
  描述：

  4-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidin-2-one 生成 C₅₈H₆₉F₁₂N₈O₁₁P
  参考文献：
  名称：

  Ganesh, Krishna N.; Kumar, Vaijayanti A.; Barawkar, Dinesh A., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1997, vol. 36, # 6, p. 519 - 524

  摘要：

  DOI：
• 作为产物：
  描述：

  精胺 、 O⁴-dimethylphenyl-5'-O-dimethoxytrityl thymidine 在 吡啶 作用下， 反应 16.0h， 生成 4-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidin-2-one
  参考文献：
  名称：

  Modulation of DNA Triplex Stability Through Nucleobase Modifications

  摘要：

  Spermine conjugation at N-4 of 5-Me-dC in oligonucleotides (sp-ODNs) reduces the net negative charge and these as HG strands form triplexes with foremost stability at neutral pH (7.3), in contrast to unmodified ODNs which form stable triplexes at pH 5.5. The stability of sp-ODN triplexes is shown to arise from improved association with duplex caused by electrostatic interaction of polycationic spermine sidechain with anionic phosphate backbone of DNA and N3 protonation is not a pre-requirement for triplexes constituted from sp-ODNs. The amplification of electrostatic component of interaction can be achieved by transformation of primary amino group of polyamines to corresponding guanidinium functions leading to improved binding and stabilization of DNA triplexes even at pH 7.0. %-Amino-dU ODNs are shown to be compatible as a central strand in formation of triplexes in which pyrimidine would be in the middle position of a triad.

  DOI：

  10.1080/07328319708006169

文献信息

• Ganesh, Krishna N.; Kumar, Vaijayanti A.; Barawkar, Dinesh A., Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical and Analytical, 1997, vol. 36, # 6, p. 519 - 524
  作者：Ganesh, Krishna N.、Kumar, Vaijayanti A.、Barawkar, Dinesh A.、Rajeev, Kallanthottathil G.、Prakash, Tazha P.、Pallan, Pradeep S.、Rana, Vipul S.

  DOI：——

  日期：——