7-methyl-6-[(1-methyl-4-nitro-5-imidazolyl)thio]purine | 302840-04-6

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 7-methyl-6-[(1-methyl-4-nitro-5-imidazolyl)thio]purine
• 英文别名: 7-methyl-6-(3-methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-7H-purine；7-Methylazathioprine；7-methyl-6-(3-methyl-5-nitroimidazol-4-yl)sulfanylpurine
• CAS: 302840-04-6
• 化学式: C₁₀H₉N₇O₂S
• 分子量: 291.293
• InChiKey: OLAVTIZRCVTOLJ-UHFFFAOYSA-N

物化性质

• 沸点：
  581.0±60.0 °C(Predicted)
• 密度：
  1.74±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  133
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  7-methyl-6-[(1-methyl-4-nitro-5-imidazolyl)thio]purine 在 盐酸 作用下， 反应 2.0h， 以18%的产率得到7-甲基-6-疏基嘌呤
  参考文献：
  名称：

  Chemical transformations of 6-[(1-methyl-4-nitro-5-imidazolyl)-thio]purine (azathioprine)

  摘要：

  DOI：

  10.1007/bf02256869
• 作为产物：
  描述：

  9-acetyl-6-[(1-methyl-4-nitro-5-imidazolyl)thio]purine 在 sodium hydroxide 作用下， 以 甲醇 、 水 为溶剂， 反应 20.17h， 生成 7-methyl-6-[(1-methyl-4-nitro-5-imidazolyl)thio]purine
  参考文献：
  名称：

  Chemical transformations of 6-[(1-methyl-4-nitro-5-imidazolyl)-thio]purine (azathioprine)

  摘要：

  DOI：

  10.1007/bf02256869

文献信息

• Synthesis of 7-methyl-6-(nitroimidazolyl)thiopurines
  作者：P. M. Kochergin、E. V. Aleksandrova、V. S. Korsunskii、V. S. Shlikhunova

  DOI：10.1007/bf02283548

  日期：2000.2
• Multi-API Loading Prodrugs
  申请人：Zeidan Tarek A.

  公开号：US20120202823A1

  公开（公告）日：2012-08-09

  The present invention accomplishes this by having multiple molecules of parent drugs attached to carrier moieties and by extending the period during which the parent drug is released and absorbed after administration to the patient and providing a longer duration of action per dose than the parent drug itself. Prodrug conjugates are suitable for sustained delivery of heteroaryl, lactam- amide-, imide-, sulfonamide-, carbamate-, urea-, benzamide-, acylaniline-, cyclic amide- and tertiary amine-containing parent drugs that are substituted at the amide nitrogen or oxygen atom with labile aldehyde-linked prodrug moieties. The carrier groups of the prodrugs can be hydrophobic to reduce the polarity and solubility of the parent drug under physiological conditions.
• MULTI-API LOADING PRODRUGS
  申请人：Alkermes Pharma Ireland Limited

  公开号：US20180194732A1

  公开（公告）日：2018-07-12

  The present invention accomplishes this by having multiple molecules of parent drugs attached to carrier moieties and by extending the period during which the parent drug is released and absorbed after administration to the patient and providing a longer duration of action per dose than the parent drug itself. Prodrug conjugates are suitable for sustained delivery of heteroaryl, lactam- amide-, imide-, sulfonamide-, carbamate-, urea-, benzamide-, acylaniline-, cyclic amide- and tertiary amine-containing parent drugs that are substituted at the amide nitrogen or oxygen atom with labile aldehyde-linked prodrug moieties. The carrier groups of the prodrugs can be hydrophobic to reduce the polarity and solubility of the parent drug under physiological conditions.
• Chemical transformations of 6-[(1-methyl-4-nitro-5-imidazolyl)-thio]purine (azathioprine)
  作者：P. M. Kochergin、E. V. Aleksandrova、V. S. Korsunskii

  DOI：10.1007/bf02256869

  日期：2000.3