4-[(1S)-3,3-diethoxy-1-hydroxypropyl]-1,3-oxathiolane-2-thione

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧硫杂环戊烷
• 英文名称: 4-[(1S)-3,3-diethoxy-1-hydroxypropyl]-1,3-oxathiolane-2-thione
• 化学式: C₁₀H₁₈O₄S₂
• 分子量: 266.4
• InChiKey: JEWSOKJFFIJVSC-JAMMHHFISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  16
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  105
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• Stereoselective synthesis and process for the manufacturing of 2′-deoxynucleosides
  申请人：The USA, as represented by the Secretary, Department of Health and Human Services

  公开号：US11365211B2

  公开（公告）日：2022-06-21

  Methods for stereoselective synthesis and manufacturing of 2′-deoxynucleosides, such as 2′-ribonucleosides, are disclosed. In some embodiments, the 2′-deoxynucleoside is a β-anomer of a 2′-deoxynucleoside having a 3′ α hydroxyl, 4′ β hydroxymethyl configuration. Nonlimiting examples of compounds prepared by the disclosed methods include 4′-thio-2′-deoxycytidine (T-dCyd) and 5-aza-4′-thio-2′-deoxycytidine (5-aza-T-dCyd; aza-T-dCyd; aza-T-dC).

  本发明公开了立体选择性合成和制造 2′-脱氧核苷（如 2′-核糖核苷）的方法。在某些实施方案中，2′-脱氧核苷是具有 3′ α羟基、4′ β羟甲基构型的 2′-脱氧核苷的 β-异构体。用所公开的方法制备的化合物的非限制性实例包括 4′-硫代-2′-脱氧胞苷（T-dCyd）和 5-氮杂-4′-硫代-2′-脱氧胞苷（5-氮杂-T-dCyd；氮杂-T-dCyd；氮杂-T-dC）。
• STEREOSELECTIVE SYNTHESIS AND PROCESS FOR THE MANUFACTURING OF 2'-DEOXYNUCLEOSIDES
  申请人：The United States of America, as represented by the Secretary, Department of Health and Human Services

  公开号：EP3746452A1

  公开（公告）日：2020-12-09
• [EN] STEREOSELECTIVE SYNTHESIS AND PROCESS FOR THE MANUFACTURING OF 2'-DEOXYNUCLEOSIDES<br/>[FR] SYNTHÈSE STÉRÉOSÉLECTIVE ET PROCÉDÉ DE FABRICATION DE 2'-DÉSOXYNUCLÉOSIDES
  申请人：US HEALTH

  公开号：WO2019152459A1

  公开（公告）日：2019-08-08

  Methods for stereoselective synthesis and manufacturing of 2'-deoxynucleosides, such as 2'-ribonucleosides, are disclosed. In some embodiments, the 2'-deoxynucleoside is a β-anomer of 2'-deoxynucleoside having a 3' a hydroxyl, 4' β hydroxymethyl configuration. Nonlimiting examples of compounds prepared by the disclosed methods include 4'-thio-2'-deoxycytidine (T-dCyd) and 5-aza-4'-thio-2'-deoxycytidine (5-aza-T-dCyd; aza-T-dCyd; aza-T-dC).