3',5'-diamino-N4-benzoyl-2',3',5'-deoxycytidine | 750645-04-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3',5'-diamino-N4-benzoyl-2',3',5'-deoxycytidine
• 英文别名: 3',5'-diamino-N⁴-benzoyl-2',3',5'-deoxycytidine
• CAS: 750645-04-6
• 化学式: C₁₆H₁₉N₅O₃
• 分子量: 329.359
• InChiKey: NRJKKRPCHKGEHH-OUCADQQQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.07
• 重原子数：
  24.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  125.26
• 氢给体数：
  3.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  3',5'-diamino-N4-benzoyl-2',3',5'-deoxycytidine 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成
  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
• 作为产物：
  描述：

  3',5'-diazido-N4-benzoyl-2',3',5'-deoxycytidine 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 为溶剂， 反应 4.0h， 以100%的产率得到3',5'-diamino-N4-benzoyl-2',3',5'-deoxycytidine
  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