N⁴-benzoyl-2',5'-dideoxy-5'-(4''-monomethoxytrityl)aminocytidine | 109979-00-2

• 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: N⁴-benzoyl-2',5'-dideoxy-5'-(4''-monomethoxytrityl)aminocytidine
• 英文别名: N-[1-[(2R,4S,5R)-4-hydroxy-5-[[[(4-methoxyphenyl)-diphenylmethyl]amino]methyl]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
• CAS: 109979-00-2
• 化学式: C₃₆H₃₄N₄O₅
• 分子量: 602.69
• InChiKey: CEIQZVWNGOHOMC-RKKDRKJOSA-N

物化性质

• 密度：
  1.27±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  45
• 可旋转键数：
  10
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  113
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N⁴-benzoyl-2',5'-dideoxy-5'-(4''-monomethoxytrityl)aminocytidine 在 溶剂黄146 、 三乙胺 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 7.5h， 生成 [(2R,3S,5R)-5-(4-Benzoylamino-2-oxo-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethyl]-carbamic acid (2R,3S,5R)-2-aminomethyl-5-(4-benzoylamino-2-oxo-2H-pyrimidin-1-yl)-tetrahydro-furan-3-yl ester; compound with toluene-4-sulfonic acid
  参考文献：
  名称：

  Uncharged stereoregular nucleic acid analogs. 1. Synthesis of a cytosine-containing oligomer with carbamate internucleoside linkages

  摘要：

  DOI：

  10.1021/jo00228a010
• 作为产物：
  描述：

  2'-脱氧胞嘧啶核苷 在 palladium on activated charcoal 吡啶 、 三甲基氯硅烷 、 叠氮化锂 、 氢气 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 N⁴-benzoyl-2',5'-dideoxy-5'-(4''-monomethoxytrityl)aminocytidine
  参考文献：
  名称：

  DNG cytidine: synthesis and binding properties of octameric guanidinium-linked deoxycytidine oligomer

  摘要：

  The synthesis of guanidinium-linked cytidyl oligomer (DNG-C-8), a cationic DNA analog, and the corresponding cytidine monomers is described. The DNG monomer synthesis was streamlined to produce a shorter route to the final monomer than previously reported for thymidine and subsequent solid-phase synthesis produced an octameric cytidyl DNG strand. Because octameric deoxyguanosine would be used as the complementary strand in our studies, it was necessary to investigate guanosine self-association. Singular value decomposition was used to mathematically deconvolve the spectral data and confirm the presence of transitions due to DNA-G(8) self-association. Job plots show the binding stoichiometry of DNG-C-8 with DNA-G(8) to be 1: 1. Thermal denaturation studies of the DNG-C-8-DNA-G(8) duplex established a T-m greater than or equal to 90degreesC and a DeltaGdegrees = 13.3 kcal mol(-1), indicating the DNG-C(8)(.)DNA-G(8) duplex is over 1000 times more stable than that of DNA-C(8)(.)DNA-G(8). (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2004.05.010

文献信息

• STIRCHAK, EUGENE P.;SUMMERTON, JAMES E.;WELLER, DWIGHT D., J. ORG. CHEM., 52,(1987) N 19, 4202-4206
  作者：STIRCHAK, EUGENE P.、SUMMERTON, JAMES E.、WELLER, DWIGHT D.

  DOI：——

  日期：——