1-[(2R,4R,5S)-4,5-Bis-(tert-butyl-diphenyl-silanyloxymethyl)-3-oxo-tetrahydro-furan-2-yl]-5-methyl-1H-pyrimidine-2,4-dione | 377084-97-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 1-[(2R,4R,5S)-4,5-Bis-(tert-butyl-diphenyl-silanyloxymethyl)-3-oxo-tetrahydro-furan-2-yl]-5-methyl-1H-pyrimidine-2,4-dione
• CAS: 377084-97-4
• 化学式: C₄₃H₅₀N₂O₆Si₂
• 分子量: 747.051
• InChiKey: OHCVROXDHPOTNR-ODKXYEIMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.08
• 重原子数：
  53.0
• 可旋转键数：
  11.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  99.62
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  甲基三苯基溴化膦 、 1-[(2R,4R,5S)-4,5-Bis-(tert-butyl-diphenyl-silanyloxymethyl)-3-oxo-tetrahydro-furan-2-yl]-5-methyl-1H-pyrimidine-2,4-dione 在 正丁基锂 作用下， 以21%的产率得到1-[(2R,4R,5S)-4,5-Bis-(tert-butyl-diphenyl-silanyloxymethyl)-3-methylene-tetrahydro-furan-2-yl]-5-methyl-1H-pyrimidine-2,4-dione
  参考文献：
  名称：

  SYNTHESIS OF NOVELD- ANDL-3′-DEOXY-3′-C-HYDROXYMETHYL NUCLEOSIDE WITH EXOCYCLIC METHYLENE AS POTENTIAL RIBONUCLEOTIDE REDUCTASE INHIBITOR

  摘要：

  D- and L-3'-Deoxy-3'-C-hydroxymethyl thymidine substituted with exocyclic methylene at 2'-position were synthesized, starting from D- and L-xylose as potential ribonucleotide reductase inhibitor, respectively, but they were found to be inactive against several tumor cell lines.

  DOI：

  10.1081/ncn-100002355
• 作为产物：
  描述：

  1-<3-C-(hydroxymethyl)-3-deoxy-β-D-erythro-pentofuranosyl>thymine 在 重铬酸吡啶 作用下， 生成 1-[(2R,4R,5S)-4,5-Bis-(tert-butyl-diphenyl-silanyloxymethyl)-3-oxo-tetrahydro-furan-2-yl]-5-methyl-1H-pyrimidine-2,4-dione
  参考文献：
  名称：

  SYNTHESIS OF NOVELD- ANDL-3′-DEOXY-3′-C-HYDROXYMETHYL NUCLEOSIDE WITH EXOCYCLIC METHYLENE AS POTENTIAL RIBONUCLEOTIDE REDUCTASE INHIBITOR

  摘要：

  D- and L-3'-Deoxy-3'-C-hydroxymethyl thymidine substituted with exocyclic methylene at 2'-position were synthesized, starting from D- and L-xylose as potential ribonucleotide reductase inhibitor, respectively, but they were found to be inactive against several tumor cell lines.

  DOI：

  10.1081/ncn-100002355