5'-[N-[(3S)-3-amino-3-carboxypropyl]-N,N-dimethylammonium]-5'-deoxyadenosine

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 5'-脱氧核糖核苷
• 英文名称: 5'-[N-[(3S)-3-amino-3-carboxypropyl]-N,N-dimethylammonium]-5'-deoxyadenosine
• 英文别名: MeAzaAdoMet；[(3S)-3-amino-3-carboxypropyl]-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-dimethylazanium
• 化学式: C₁₆H₂₆N₇O₅
• 分子量: 396.426
• InChiKey: XWLHOAZNAGJWQK-OPYVMVOTSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  -4.1
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  183
• 氢给体数：
  5
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  5'-[N-[(3S)-3-amino-3-carboxypropyl]-N,N-dimethylammonium]-5'-deoxyadenosine 在 potassium fluoride 、 L-amino acid oxidase 、 fluorinase 作用下， 以 aq. phosphate buffer 为溶剂， 反应 3.0h， 生成 5'-fluoro-5'-deoxyadenosine
  参考文献：
  名称：

  Enzymatic radiofluorination: Fluorinase accepts methylaza-analog of SAM as substrate for FDA synthesis

  摘要：

  Methylaza-analog of S-adenosyl-L-methionine (MeAzaAdoMet) was found to be a substrate for fluorinase. This is the first discovery of a new substrate for fluorinase that can be accessed synthetically in high purity. The activity of fluorinase for the new MeAzaAdoMet and [F-18]fluoride ion was 32% in 180 min. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcatb.2013.07.015

文献信息

• Enzymatic radiofluorination: Fluorinase accepts methylaza-analog of SAM as substrate for FDA synthesis
  作者：Maxim E. Sergeev、Federica Morgia、Muhammad R. Javed、Mami Doi、Pei Y. Keng

  DOI：10.1016/j.molcatb.2013.07.015

  日期：2013.12

  Methylaza-analog of S-adenosyl-L-methionine (MeAzaAdoMet) was found to be a substrate for fluorinase. This is the first discovery of a new substrate for fluorinase that can be accessed synthetically in high purity. The activity of fluorinase for the new MeAzaAdoMet and [F-18]fluoride ion was 32% in 180 min. (C) 2013 Elsevier B.V. All rights reserved.