6-N-(4-methylbenzothio)methyl-cordycepin | 704915-75-3

• 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: 6-N-(4-methylbenzothio)methyl-cordycepin
• 英文别名: (2R,3R,5S)-5-(hydroxymethyl)-2-[6-[(4-methylphenyl)sulfanylmethylamino]purin-9-yl]oxolan-3-ol
• CAS: 704915-75-3
• 化学式: C₁₈H₂₁N₅O₃S
• 分子量: 387.462
• InChiKey: BNLUHVFEABNXQY-WPKBUWHJSA-N

物化性质

• 沸点：
  700.6±70.0 °C(Predicted)
• 密度：
  1.53±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  131
• 氢给体数：
  3
• 氢受体数：
  8

文献信息

• Compounds resistant to metabolic deactivation and methods of use
  申请人：Kane Ronald Robert

  公开号：US20080070859A1

  公开（公告）日：2008-03-20

  Therapeutic compounds having increased resistance to deamination and inactivation by metabolic enzymes are provided. The compounds include nucleotide analogs and nucleotide analogs, derivatized with aminal and/or thioaminal groups to prevent deamination of free amine. The compounds can be used in a variety of treatments, including treatment of neoplastic disorders, infections from fungal or fungal-like organisms, and infections from parasites.