(1,4-13C2)spermidine | 749833-66-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: (1,4-13C2)spermidine
• 英文别名: 13C-Spermidine；N'-(3-aminopropyl)(1,4-13C2)butane-1,4-diamine
• CAS: 749833-66-7
• 化学式: C₇H₁₉N₃
• 分子量: 147.226
• InChiKey: ATHGHQPFGPMSJY-UHJUODCXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1
• 重原子数：
  10
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  64.1
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (1,4-13C2)spermidine 在 盐酸 、 三乙胺 、 三氟乙酸 作用下， 以 四氢呋喃 、 二氯甲烷 、 乙酸乙酯 为溶剂， 反应 8.67h， 生成 N⁴-<(E)-4-methoxycinnamoyl>-(1,4-13C2)spermidine dihydrochloride
  参考文献：
  名称：

  Synthesis of 13C-dilabeled 4-coumaroylspermidines

  摘要：

  Five C-13-dilabeled constitution isomers of 4-coumaroylspermidines were prepared in nine to eleven steps: N-1,4-di[(E)-4-coumaroyl]-(5,8-C-13(2))spermidine (13b), N-1-[(E)-4-coumaroyl]-(5,8-C-13(2))spermidine (17b), N-1,8-di[(E)-4-coumaroyl]-(1,4-C-13(2))spermidine (20b), N-4-[(E)-4-coumaroyl]-(1,4-C-13(2))spermidine (24b) and N-1,4,8-tri[(E)-4-coumaroyl]-(5,8-C-13(2))spermidine (26). The two C-13-atoms were subsequently introduced using labeled potassium cyanide. The synthesis proceeds through stepwise construction of the polyamine backbone including protection and deprotection steps of the amino functions. Based on H-1-H-1 NOE interactions, the preliminary study of their binding reveals that 20b binds to tRNA in the. same way as spermidine does, whereas 24b and 26 do not-show any NOE effects with the tRNA protons. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(98)01014-x
• 作为产物：
  描述：

  在 钯 氢气 作用下， 生成 (1,4-13C2)spermidine
  参考文献：
  名称：

  Conformation of DNA-bound spermidine by double carbon-13 labeling

  摘要：

  Double-C-13-labeling experiments show conclusively that the central bond of the C4 unit in spermidine adopts an anti configuration when bound to various types of DNA. Double-C-13-labeling is a powerful though laborious method of securing conformational information on biomolecules in aqueous media.

  DOI：

  10.1021/jo00011a003