| 939987-61-8

• 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
• CAS: 939987-61-8
• 化学式: C₁₃H₂₂N₇O₉PS
• 分子量: 483.399
• InChiKey: HRQZRBAKYOVVJJ-VHQAPHLWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.57
• 重原子数：
  31.0
• 可旋转键数：
  7.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  235.48
• 氢给体数：
  6.0
• 氢受体数：
  13.0

反应信息

• 作为反应物：
  描述：

  在 吡啶 、 MSNT 、 N,N'-二环己基碳二亚胺 作用下， 反应 54.0h， 生成
  参考文献：
  名称：

  Cyclic monophosphate prodrugs of base-modified 2′-C-methyl ribonucleosides as potent inhibitors of hepatitis C virus RNA replication

  摘要：

  A new series of heterobase-modified 2 '-C-methyl ribonucleosides was synthesized and tested as inhibitors of hepatitis C virus (HCV) RNA replication. The nucleosides showed a weak inhibitory activity in a HCV replicon system (EC50 = 92 mu M) and did not exhibit any cytotoxicity (CC50 > 300 mu M). Cyclic monophosphate (cMP) prodrugs of the same nucleosides were synthesized and also tested in the HCV replicon system. Prodrugs exhibited strong potency (EC50 = 0-008)mu M) without significant cytotoxicity (CC50 > 50 mu M). (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.02.030
• 作为产物：
  描述：

  2-amino-N6-methyl-N6-methylsulfonamido-9-(2'β-methyl-β-D-ribofuranosyl)adenine 在 磷酸三甲酯 、 三氯氧磷 作用下， 反应 5.0h， 以72%的产率得到
  参考文献：
  名称：

  Cyclic monophosphate prodrugs of base-modified 2′-C-methyl ribonucleosides as potent inhibitors of hepatitis C virus RNA replication

  摘要：

  A new series of heterobase-modified 2 '-C-methyl ribonucleosides was synthesized and tested as inhibitors of hepatitis C virus (HCV) RNA replication. The nucleosides showed a weak inhibitory activity in a HCV replicon system (EC50 = 92 mu M) and did not exhibit any cytotoxicity (CC50 > 300 mu M). Cyclic monophosphate (cMP) prodrugs of the same nucleosides were synthesized and also tested in the HCV replicon system. Prodrugs exhibited strong potency (EC50 = 0-008)mu M) without significant cytotoxicity (CC50 > 50 mu M). (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.02.030