[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-azidomethyl] dihydrogen phosphate

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘌呤核苷酸
• 英文名称: [[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-azidomethyl] dihydrogen phosphate
• 化学式: C10H13N8O7P
• 分子量: 388.23
• InChiKey: KTBADAWVLDZBNR-OIDWSZPESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.7
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  200
• 氢给体数：
  5
• 氢受体数：
  13

文献信息

• Synthetic cofactor analogs of S-adenosylmethionine as ligatable probes of biological methylation and methods for their use
  申请人：Rajski R. Scott

  公开号：US20070161007A1

  公开（公告）日：2007-07-12

  The present invention discloses compounds and methods used to specifically target substrates of methylation by S-adenosyl-L-methionine (SAM)-dependent methyltransferases. The substrates can be peptides, single stranded nucleic acids or double stranded nucleic acids, including RNA, DNA and PNA or phospholipids. The compounds disclosed are SAM analogs that are ligated to a methylation site by the methyltransferase. Also disclosed, are reacting groups that are ligatable to the cofactor analogs and can also be used as detectable labels. The reacting group can be used to cleave the substrate providing a methylation footprint. The invention can be used clinically to determine methylation state of a gene or gene promoter such as those involved in imprinting and transcription. In some preferred embodiments, the invention includes a kit, which can include one or more suitable SAM analogs and may include one or more detectable labels. In other preferred embodiments, the invention includes a pharmaceutical composition.

  本发明揭示了化合物和方法，用于特异性靶向S-腺苷基-L-甲硫氨酸（SAM）依赖的甲基转移酶的甲基化底物。这些底物可以是肽、单链核酸或双链核酸，包括RNA、DNA和PNA或磷脂。所揭示的化合物是SAM类似物，它们通过甲基转移酶与甲基化位点连接。此外，还揭示了可与辅因子类似物连接的反应基团，也可用作可检测标记。反应基团可用于裂解底物，提供甲基化足迹。本发明可用于临床上确定基因或基因启动子的甲基化状态，例如涉及印迹和转录的基因。在一些优选实施例中，本发明包括一个试剂盒，其中可以包括一个或多个适当的SAM类似物，也可以包括一个或多个可检测标记。在其他优选实施例中，本发明包括一种制药组合物。
• US7465544B2
  申请人：——

  公开号：US7465544B2

  公开（公告）日：2008-12-16