AAG137 | 663616-08-8

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘌呤核苷
• 英文名称: AAG137
• CAS: 663616-08-8
• 化学式: C₁₅H₂₀ClN₅O₂
• 分子量: 337.809
• InChiKey: GYFXRZQFSMVUCB-WDEREUQCSA-N

物化性质

• 沸点：
  520.4±60.0 °C(Predicted)
• 密度：
  1.66±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  23.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  85.09
• 氢给体数：
  2.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  AAG137 在 palladium on activated charcoal 氢气 作用下， 生成 AAG140
  参考文献：
  名称：

  Deaza- and Deoxyadenosine Derivatives: Synthesis and Inhibition of Animal Viruses as Human Infection Models

  摘要：

  N-6-Cycloalkyl-2',3'-dideoxyadenosine derivatives and (2-chloro)-N-6-cycloheptyl-3-deazaadenosine have been synthesized and tested, along with other (deaza)purine (deoxy)nucleosides from our chemical library, as inhibitors of virus replication against Bovine Herpes Virus 1 (BHV-1) and sheep Maedi/Visna Virus (MVV). Most compounds demonstrated good antireplicative activity against MVV, showing also low cell toxicity.

  DOI：

  10.1081/ncn-120022676
• 作为产物：
  描述：

  2,6-dichloro-9-(2,3-dideoxy-β-D-glyceropentofuranosyl)-9H-purine 在 甲醇 、 氨 作用下， 生成 AAG137
  参考文献：
  名称：

  Deaza- and Deoxyadenosine Derivatives: Synthesis and Inhibition of Animal Viruses as Human Infection Models

  摘要：

  N-6-Cycloalkyl-2',3'-dideoxyadenosine derivatives and (2-chloro)-N-6-cycloheptyl-3-deazaadenosine have been synthesized and tested, along with other (deaza)purine (deoxy)nucleosides from our chemical library, as inhibitors of virus replication against Bovine Herpes Virus 1 (BHV-1) and sheep Maedi/Visna Virus (MVV). Most compounds demonstrated good antireplicative activity against MVV, showing also low cell toxicity.

  DOI：

  10.1081/ncn-120022676