Imidazole-1-carbothioic acid O-[(2R,3R,3aR,9aR)-2-(2,4-dioxo-3,4-dihydro-2H-thieno[3,2-d]pyrimidin-1-yl)-5,5,7,7-tetraisopropyl-tetrahydro-1,4,6,8-tetraoxa-5,7-disila-cyclopentacycloocten-3-yl] ester | 160234-46-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并嘧啶酮衍生物
• 英文名称: Imidazole-1-carbothioic acid O-[(2R,3R,3aR,9aR)-2-(2,4-dioxo-3,4-dihydro-2H-thieno[3,2-d]pyrimidin-1-yl)-5,5,7,7-tetraisopropyl-tetrahydro-1,4,6,8-tetraoxa-5,7-disila-cyclopentacycloocten-3-yl] ester
• CAS: 160234-46-8
• 化学式: C₂₇H₄₀N₄O₇S₂Si₂
• 分子量: 652.94
• InChiKey: JZGCLOKFXMVSCR-NMOFPLQQSA-N

物化性质

• 密度：
  1.371±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.02
• 重原子数：
  42.0
• 可旋转键数：
  6.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  118.83
• 氢给体数：
  1.0
• 氢受体数：
  12.0

反应信息

• 作为反应物：
  描述：

  Imidazole-1-carbothioic acid O-[(2R,3R,3aR,9aR)-2-(2,4-dioxo-3,4-dihydro-2H-thieno[3,2-d]pyrimidin-1-yl)-5,5,7,7-tetraisopropyl-tetrahydro-1,4,6,8-tetraoxa-5,7-disila-cyclopentacycloocten-3-yl] ester 在 偶氮二异丁腈 、 四丁基氟化铵 、 三正丁基氢锡 作用下， 以 吡啶 为溶剂， 反应 4.0h， 生成
  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-(β-D-ribofuranosyl)thieno<3,2-d>pyrimidine-2,4-dione 在 咪唑 作用下， 以 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 4.0h， 生成 Imidazole-1-carbothioic acid O-[(2R,3R,3aR,9aR)-2-(2,4-dioxo-3,4-dihydro-2H-thieno[3,2-d]pyrimidin-1-yl)-5,5,7,7-tetraisopropyl-tetrahydro-1,4,6,8-tetraoxa-5,7-disila-cyclopentacycloocten-3-yl] ester
  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