1-(2,3,5-tri-O-benzyl-4-thio-β-D-arabinofuranosyl)cytosine

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 核苷和核苷酸类似物
• 英文名称: 1-(2,3,5-tri-O-benzyl-4-thio-β-D-arabinofuranosyl)cytosine
• 英文别名: 4-amino-1-[(2R,3S,4S,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)thiolan-2-yl]pyrimidin-2-one
• 化学式: C₃₀H₃₁N₃O₄S
• 分子量: 529.66
• InChiKey: DEZPSBMONSHGFT-HVQBEUSNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  38
• 可旋转键数：
  11
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  112
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1-(2,3,5-tri-O-benzyl-4-thio-β-D-arabinofuranosyl)uracil 在 4-二甲氨基吡啶 、 ammonium hydroxide 、 三乙胺 作用下， 以 水 、 乙腈 为溶剂， 生成 1-(2,3,5-tri-O-benzyl-4-thio-β-D-arabinofuranosyl)cytosine
  参考文献：
  名称：

  Synthesis of 4′-Thio-β-D-arabinofuranosylcytosine (4′-Thio-ara-C) and Comparison of Its Anticancer Activity with That of Ara-C

  摘要：

  4'-thio-beta-D-arabinofuranosylcytosine was synthesized by a facile route in high yields. It was evaluated for antitumor activity against a panel of human tumors, both in vitro and in vivo.

  DOI：

  10.1080/15257770008033012

文献信息

• Synthesis of 4′-Thio-β-D-arabinofuranosylcytosine (4′-Thio-ara-C) and Comparison of Its Anticancer Activity with That of Ara-C
  作者：Kamal N. Tiwari、Anita T. Shortnacy-fowler、Loredana Cappellacci、William B. Parker、William R. Waud、John A. Montgomery、John A. Secrist

  DOI：10.1080/15257770008033012

  日期：2000.1

  4'-thio-beta-D-arabinofuranosylcytosine was synthesized by a facile route in high yields. It was evaluated for antitumor activity against a panel of human tumors, both in vitro and in vivo.