1-(2-deoxy-3,5-di-O-acetyl-β-D-erythro-pentofuranosyl)thieno<3,2-d>pyrimidine-2,4-dione | 160234-49-1

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘧啶核苷
• 英文名称: 1-(2-deoxy-3,5-di-O-acetyl-β-D-erythro-pentofuranosyl)thieno<3,2-d>pyrimidine-2,4-dione
• CAS: 160234-49-1
• 化学式: C₁₅H₁₆N₂O₇S
• 分子量: 368.367
• InChiKey: KFRSBXPHJIIGAF-QJPTWQEYSA-N

物化性质

• 密度：
  1.506±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.53
• 重原子数：
  25.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  116.69
• 氢给体数：
  1.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  1-(2-deoxy-3,5-di-O-acetyl-β-D-erythro-pentofuranosyl)thieno<3,2-d>pyrimidine-2,4-dione 在 氨 作用下， 以 吡啶 、 甲醇 为溶剂， 反应 124.0h， 生成 1-(2-deoxy-3-methanesulfonyl-5-O-triphenylmethyl-β-D-erythro-pentofuranosyl)thieno<3,2-d>pyrimidine-2,4-dione
  参考文献：
  名称：

  Synthesis of N-1β-D-Arabinofuranosyl and N-1-2′-Deoxy-β-D-erythro-pentofuranosyl Thieno [3,2-d] Pyrimidine Nucleosides

  摘要：

  Synthetic methods for 1-(beta-D-arabinofuranosyl) and 1(2-deoxy-beta-D-erythro-pentofuranosyl)thieno[3,2-d]pyrimidine-2,4-diones from the corresponding 1-(beta-D-ribofuranosyl) nucleoside have been developed in this report. These compounds were tested against HIV-1 in CEM cl 13 cell cultures, but none df them exhibited significant inhibitory activity against this virus.

  DOI：

  10.1080/15257779408011866
• 作为产物：
  描述：

  1-(2-bromo-2-deoxy-3,5-di-O-acetyl-β-D-ribofuranosyl)thieno<3,2-d>pyrimidine-2,4-dione 在 偶氮二异丁腈 、 三正丁基氢锡 作用下， 以 甲苯 为溶剂， 反应 14.0h， 以43%的产率得到1-(2-deoxy-3,5-di-O-acetyl-β-D-erythro-pentofuranosyl)thieno<3,2-d>pyrimidine-2,4-dione
  参考文献：
  名称：

  Synthesis of N-1β-D-Arabinofuranosyl and N-1-2′-Deoxy-β-D-erythro-pentofuranosyl Thieno [3,2-d] Pyrimidine Nucleosides

  摘要：

  Synthetic methods for 1-(beta-D-arabinofuranosyl) and 1(2-deoxy-beta-D-erythro-pentofuranosyl)thieno[3,2-d]pyrimidine-2,4-diones from the corresponding 1-(beta-D-ribofuranosyl) nucleoside have been developed in this report. These compounds were tested against HIV-1 in CEM cl 13 cell cultures, but none df them exhibited significant inhibitory activity against this virus.

  DOI：

  10.1080/15257779408011866