| 915023-69-7

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物
• CAS: 915023-69-7
• 化学式: C₂₇H₄₆N₇O₁₀PS₃
• 分子量: 755.875
• InChiKey: USPPTAIMZBDEMD-CPYVLVGPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.21
• 重原子数：
  48.0
• 可旋转键数：
  15.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  230.55
• 氢给体数：
  4.0
• 氢受体数：
  18.0

反应信息

• 作为反应物：
  描述：

  在 叔丁基过氧化氢 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 2-amino-N6-methyl-N6-methylsulfonamido-9-(2'-C-methyl-β-D-ribofuranosyl)adenine-5'-monophosphate bis(S-pivaloyl-2-thioethyl) ester
  参考文献：
  名称：

  6-Hydrazinopurine 2′-methyl ribonucleosides and their 5′-monophosphate prodrugs as potent hepatitis C virus inhibitors

  摘要：

  A series of 6-hydrazinopurine 2 '-methyl ribonucleosides was synthesized and tested for its inhibitory activity against the hepatitis C virus (HCV). The lack of antiviral activity of these nucleosides was associated with a poor affinity for adenosine kinase, which prompted us to synthesize several of their 5 '-monophosphate prodrugs. Some of these prodrugs exhibited more than 1000-fold improvement in anti-HCV activity when compared to their parent nucleosides (EC50 of 24 mu M vs 92 mu M for the parent). (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.02.029
• 作为产物：
  描述：

  1,2,3,5-四苯甲酰氧基-2-C-甲基-beta-D-呋喃核糖 在 四氮唑 、 三氟甲磺酸三甲基硅酯 、 TEA 、 氨 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 四氢呋喃 、 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 54.0h， 生成
  参考文献：
  名称：

  6-Hydrazinopurine 2′-methyl ribonucleosides and their 5′-monophosphate prodrugs as potent hepatitis C virus inhibitors

  摘要：

  A series of 6-hydrazinopurine 2 '-methyl ribonucleosides was synthesized and tested for its inhibitory activity against the hepatitis C virus (HCV). The lack of antiviral activity of these nucleosides was associated with a poor affinity for adenosine kinase, which prompted us to synthesize several of their 5 '-monophosphate prodrugs. Some of these prodrugs exhibited more than 1000-fold improvement in anti-HCV activity when compared to their parent nucleosides (EC50 of 24 mu M vs 92 mu M for the parent). (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.02.029

文献信息

• WO2006/122207
  申请人：——

  公开号：——

  公开（公告）日：——