5'-S-acetyl-5'-thio-3',5'-dideoxy-2'-thymidinene | 84365-05-9

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 核苷和核苷酸类似物
• 英文名称: 5'-S-acetyl-5'-thio-3',5'-dideoxy-2'-thymidinene
• CAS: 84365-05-9；84414-91-5
• 化学式: C₁₂H₁₄N₂O₄S
• 分子量: 282.32
• InChiKey: VGYASPFUQULYTA-RGURZIINSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.58
• 重原子数：
  19.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  81.16
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  5'-S-acetyl-5'-thio-3',5'-dideoxy-2'-thymidinene 在 氢氧化钾 作用下， 以 乙醇 、 水 为溶剂， 反应 0.5h， 生成
  参考文献：
  名称：

  Biomolecules Bearing the SAsMe2 Group: Nucleoside Derivatives

  摘要：

  AbstractA number of compounds of the type GS‐ and GSeAsR2, where G is a monosaccharide, a thio amino acid, a thiol‐containing di‐ or tripeptide or cholesterol display carcinostatic activity in in vivo mouse test systems.The synthesis and characterization of derivatives in which G is a nucleoside and the synthesis of an arsenic‐containing precursor of 5‐thioglucose are described. Of the nucleoside derivatives thus far screened, none displays carcinostatic activity.

  DOI：

  10.1002/bscb.19820910804
• 作为产物：
  描述：

  1-(2,3-dideoxy-D-glycero-pent-2-enofuranosyl)thymine 在 吡啶 作用下， 以 丙酮 为溶剂， 反应 3.0h， 生成 5'-S-acetyl-5'-thio-3',5'-dideoxy-2'-thymidinene
  参考文献：
  名称：

  Biomolecules Bearing the SAsMe2 Group: Nucleoside Derivatives

  摘要：

  AbstractA number of compounds of the type GS‐ and GSeAsR2, where G is a monosaccharide, a thio amino acid, a thiol‐containing di‐ or tripeptide or cholesterol display carcinostatic activity in in vivo mouse test systems.The synthesis and characterization of derivatives in which G is a nucleoside and the synthesis of an arsenic‐containing precursor of 5‐thioglucose are described. Of the nucleoside derivatives thus far screened, none displays carcinostatic activity.

  DOI：

  10.1002/bscb.19820910804