<5'-13C>N⁶,N⁶-dimethyladenosine | 223906-64-7

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘌呤核苷
• 英文名称: <5'-13C>N⁶,N⁶-dimethyladenosine
• 英文别名: (2R,3R,4S,5R)-2-[6-(dimethylamino)purin-9-yl]-5-(hydroxy(113C)methyl)oxolane-3,4-diol
• CAS: 223906-64-7
• 化学式: C₁₂H₁₇N₅O₄
• 分子量: 296.287
• InChiKey: WVGPGNPCZPYCLK-UZTJWJGWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  117
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  <5'-13C>N⁶,N⁶-dimethyladenosine 在 磺酰氯 作用下， 以 六甲基磷酰三胺 为溶剂， 以46%的产率得到<5'-13C>5'-chloro-5'-deoxy-N⁶,N⁶-dimethyladenosine
  参考文献：
  名称：

  A Convenient and Practical Synthesis of Coenzyme B₁₂Enriched in¹³C in the Cobalt-Bound Carbon

  摘要：

  [A15-C-13]Adenosylcobalamin in which the labeled carbon is bound to the cobalt atom, and its analogs were synthesized from D-[5-C-13]ribose through anomeric hydroxyl activation, coupling with adenosines, and then alkylation of reduced B-12. The synthetic routes described here are mild, efficient, and proceed in reasonable yield.

  DOI：

  10.1080/00397919908086048
• 作为产物：
  描述：

  <5'-13C>pent-4-enyl 2',3',5'-tri-O-benzoyl-β-D-erythro-pentofuranoside 在 N-碘代丁二酰亚胺 、 三氟甲磺酸 、 氨 作用下， 以 甲醇 、 乙腈 为溶剂， 反应 29.0h， 生成 <5'-13C>N⁶,N⁶-dimethyladenosine
  参考文献：
  名称：

  A Convenient and Practical Synthesis of Coenzyme B₁₂Enriched in¹³C in the Cobalt-Bound Carbon

  摘要：

  [A15-C-13]Adenosylcobalamin in which the labeled carbon is bound to the cobalt atom, and its analogs were synthesized from D-[5-C-13]ribose through anomeric hydroxyl activation, coupling with adenosines, and then alkylation of reduced B-12. The synthetic routes described here are mild, efficient, and proceed in reasonable yield.

  DOI：

  10.1080/00397919908086048

文献信息

• A Convenient and Practical Synthesis of Coenzyme B₁₂Enriched in¹³C in the Cobalt-Bound Carbon
  作者：Shifa Cheng、Erie Zang、Kenneth L. Brown

  DOI：10.1080/00397919908086048

  日期：1999.3

  [A15-C-13]Adenosylcobalamin in which the labeled carbon is bound to the cobalt atom, and its analogs were synthesized from D-[5-C-13]ribose through anomeric hydroxyl activation, coupling with adenosines, and then alkylation of reduced B-12. The synthetic routes described here are mild, efficient, and proceed in reasonable yield.