| 169514-80-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 169514-80-1
• 化学式: C₂₈H₂₈O₄S₂
• 分子量: 492.66
• InChiKey: CNWNVZADWSZYJH-NPGWBMRXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.45
• 重原子数：
  34.0
• 可旋转键数：
  8.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  52.6
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  在 三甲基氯硅烷 、 三氟甲磺酸三甲基硅酯 、 mercury(II) diacetate 、 溶剂黄146 、 六甲基二硅氮烷 作用下， 以 乙腈 为溶剂， 反应 1.0h， 生成
  参考文献：
  名称：

  The Synthesis and Biological Activity of 1-(2-Deoxy-4-Thio-α;-L-Threo-Pentofuranosyl)Thymine

  摘要：

  The procedure of Huang and Hui (Nucleosides & Nucleotides 1993, 12, 139-147) was found to give benzyl 3,5-di-O-benzyl-2-deoxy-1,4-dithio-alpha-L-threo-pentofuranoside (6) rather than the claimed D-erythro isomer. This sugar was converted to an anomeric mixture of the thymine nucleosides. The mixture was separated and the alpha-anomer (alpha-10) was found to be cytotoxic, whereas the beta-anomer (beta-10) was inactive.

  DOI：

  10.1080/07328319308018554
• 作为产物：
  描述：

  3,5-di-O-benzyl-2-deoxy-1,4-dithio-L-threo-pentofuranoside 在 吡啶 、 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 反应 24.5h， 生成
  参考文献：
  名称：

  The Synthesis and Biological Activity of 1-(2-Deoxy-4-Thio-α;-L-Threo-Pentofuranosyl)Thymine

  摘要：

  The procedure of Huang and Hui (Nucleosides & Nucleotides 1993, 12, 139-147) was found to give benzyl 3,5-di-O-benzyl-2-deoxy-1,4-dithio-alpha-L-threo-pentofuranoside (6) rather than the claimed D-erythro isomer. This sugar was converted to an anomeric mixture of the thymine nucleosides. The mixture was separated and the alpha-anomer (alpha-10) was found to be cytotoxic, whereas the beta-anomer (beta-10) was inactive.

  DOI：

  10.1080/07328319308018554

文献信息

• The Synthesis and Biological Activity of Certain 4'-Thionucleosides
  作者：John Secrist、William Parker、Kamal Tiwari、Lea Messini、Sue Shaddix、Lucy Rose、L. Lee Bennett、John Montgomery

  DOI：10.1080/15257779508012449

  日期：1995.5.1

  Abstract Results are presented on the synthesis and biological activity of several types of 4′-thionucleosides as potential anticancer agents. Detailed studies on the mechanism of action of 4′-thiothymidine are also presented.

  摘要介绍了几种类型的4'-硫代核苷作为潜在抗癌剂的合成和生物学活性。还介绍了有关4'-硫代胸苷的作用机理的详细研究。