3'-β-(selenophenyl)-2',3'-dideoxythymidine-5'-yl H-phosphonate triethylammonium salt | 1419743-24-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 3'-β-(selenophenyl)-2',3'-dideoxythymidine-5'-yl H-phosphonate triethylammonium salt
• CAS: 1419743-24-0
• 化学式: C₆H₁₅N*C₁₆H₁₉N₂O₆PSe
• 分子量: 546.462
• InChiKey: BGDAPYLBOCPSPM-MBLYYGPHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  33.0
• 可旋转键数：
  9.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  113.86
• 氢给体数：
  2.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  1-<2',3'-dideoxy-3'(R)-phenylseleno-β-D-glycero-pentofuranosyl>thymine 在 吡啶 、 三甲基乙酰氯 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 生成 3'-β-(selenophenyl)-2',3'-dideoxythymidine-5'-yl H-phosphonate triethylammonium salt
  参考文献：
  名称：

  3′-Modified oligodeoxyribonucleotides for the study of 2-deoxyribose damage in DNA

  摘要：

  Well-defined substrates for the study of oxidative processes are important for the elucidation of the role of DNA damage in the etiology of diseases such as cancer. We have synthesized 3'-modified oligodeoxyribonucleotides (ODNs) using 5' -> 3' 'reverse' DNA synthesis for the study of 2-deoxyribose oxidative damage to DNA. The modified monomers designed for these studies all share a common feature, they lack the naturally occurring 3'-hydroxyl group found in 2-deoxyribonucleosides. Modified H-phosphonates containing 3'-phenyl selenides as well as saturated and unsaturated sugars were obtained and incorporated in ODNs. These ODNs were used to investigate the fate of C3'-dideoxyribonucleotide radicals in DNA. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.11.050