[[(2R,4S,5S)-5-(1-amino-4H-cyclopenta[c]pyridin-4-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2S,4R,5R)-5-(4-amino-7H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-dihydroxy-5-methyloxolan-2-yl]methyl hydrogen phosphate

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [[(2R,4S,5S)-5-(1-amino-4H-cyclopenta[c]pyridin-4-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2S,4R,5R)-5-(4-amino-7H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-dihydroxy-5-methyloxolan-2-yl]methyl hydrogen phosphate
• 化学式: C₂₅H₃₂N₆O₁₃P₂
• 分子量: 686.5
• InChiKey: DOHNQCZBSWGTRS-IFLZAVSXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -6.4
• 重原子数：
  46
• 可旋转键数：
  10
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  304
• 氢给体数：
  8
• 氢受体数：
  19

文献信息

• Novel Adenyl Dinucleotides with Antitumour Activity and a Method of preparing Thereof
  申请人：Basile Giovanna

  公开号：US20080194509A1

  公开（公告）日：2008-08-14

  The invention relates to novel adenyl dinucleotides which are isomers of the dinucleotide Ap2A, having formulae (I) and (II). The dinucleotides of the invention have antitumour activity, particularly against tumours of haematological origin, such as for example leukaemias and lymphomas. The invention further relates to the use of such dinucleotides as antitumour medicaments. Finally, the invention relates to an enzymatic method for preparing the dinucleotides of formulae (I) and (II) and to an enzymatic assay method for the dinucleotide of formula (I) which is based on its complete conversion to NAD + .