4-N-<ε-(p-bromobenzoylamido)caproylamido>cytidine

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘧啶核苷
• 英文名称: 4-N-<ε-(p-bromobenzoylamido)caproylamido>cytidine
• 英文别名: 4-bromo-N-[6-[[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-6-oxohexyl]benzamide
• 化学式: C₂₂H₂₇BrN₄O₇
• 分子量: 539.383
• InChiKey: VHWAGCXISHQITI-OBZYLPMUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  34
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  161
• 氢给体数：
  5
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  2,5-dioxopyrrolidin-1-yl 4-bromobenzoate 在 TEA 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 51.0h， 生成 4-N-<ε-(p-bromobenzoylamido)caproylamido>cytidine
  参考文献：
  名称：

  Introduction of an Immunochemical Label in a Cytidine Analogue

  摘要：

  A new immunochemical label was synthesized and used as an artificial hapten to obtain a monoclonal antibody that specifically recognizes it. The new cytidine analogues, 5-methyl-4-N-(4-[6-(p-bromobenzoylamido)caproylamido]but-1-yl)-2'-deoxycytidine and 4-N-[epsilon-(p-bromobenzoylamido)caproylamido]cytidine which could be useful for nonradioactive detection of DNA and RNA, were also synthesized.

  DOI：

  10.1080/15257779508014665