2-脱氧腺苷酸-8-14c | 7074-96-6

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘌呤核苷
• 中文名称: 2-脱氧腺苷酸-8-14c
• 英文名称: [8-14C]-2'-Deoxyadenosine
• 英文别名: [8-14C]-2'-DeoxyAdo；2'-Desoxy-adenosin-14C8-β-Anomeres；2'-deoxy-[8-¹⁴C]-adenosine；2'-Deoxyadenosine-8-14C；(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
• CAS: 7074-96-6
• 化学式: C₁₀H₁₃N₅O₃
• 分子量: 253.234
• InChiKey: OLXZPDWKRNYJJZ-FWZNJRMESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  119
• 氢给体数：
  3
• 氢受体数：
  7

安全信息

• 危险品标志：
  Xi,R
• 安全说明：
  S26
• 危险类别码：
  R36/37/38
• 危险品运输编号：
  UN 2910 7

反应信息

• 作为反应物：
  描述：

  2-脱氧腺苷酸-8-14c 、 1,3-二异丙基三氮烯 在 phosphate buffer 作用下， 以 乙腈 为溶剂， 反应 0.5h， 生成 、
  参考文献：
  名称：

  Predicted Exocyclic Amino Group Alkylation of 2‘-Deoxyadenosine and 2‘-Deoxyguanosine by the Isopropyl Cation

  摘要：

  Diisopropyltriazene in aqueous 10% acetonitrile (pH 7.0 +/- 0.4) yields N-6-isopropyl-2'-deoxyAdo as the predominant product and N-2-isopropyl-2'-deoxyGuo in yields comparable with the O-6 adduct in reactions with 2'-deoxyAdo and 2'-deoxyGuo, respectively. These observations are inconsistent with what is expected on the basis of the regnant hypothesis concerning factors that determine atom site selectivity in diazonium ion-mediated alkylations. An alternative explanation based on the fleeting existence of the reactive intermediates involved is consistent with these observations.

  DOI：

  10.1021/tx000059j
• 作为产物：
  描述：

  1H-嘌呤-6-胺-8-14C 、 [(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]phosphonic acid 生成 2-脱氧腺苷酸-8-14c
  参考文献：
  名称：

  FILIP, J.;NEJEDLY, Z.;CIHAK, A.;VESELY, J.

  摘要：

  DOI：

文献信息

• FILIP, J.;NEJEDLY, Z.;CIHAK, A.;VESELY, J.
  作者：FILIP, J.、NEJEDLY, Z.、CIHAK, A.、VESELY, J.

  DOI：——

  日期：——
• Predicted Exocyclic Amino Group Alkylation of 2‘-Deoxyadenosine and 2‘-Deoxyguanosine by the Isopropyl Cation
  作者：Patrick Blans、James C. Fishbein

  DOI：10.1021/tx000059j

  日期：2000.6.1

  Diisopropyltriazene in aqueous 10% acetonitrile (pH 7.0 +/- 0.4) yields N-6-isopropyl-2'-deoxyAdo as the predominant product and N-2-isopropyl-2'-deoxyGuo in yields comparable with the O-6 adduct in reactions with 2'-deoxyAdo and 2'-deoxyGuo, respectively. These observations are inconsistent with what is expected on the basis of the regnant hypothesis concerning factors that determine atom site selectivity in diazonium ion-mediated alkylations. An alternative explanation based on the fleeting existence of the reactive intermediates involved is consistent with these observations.