3'-S-(2-羟基乙基)-3'-硫代胸苷 | 108895-43-8

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘧啶核苷
• 中文名称: 3'-S-(2-羟基乙基)-3'-硫代胸苷
• 英文名称: 3'-<(2-hydroxyethyl)thio>-3'-deoxythymidine
• 英文别名: Thymidine, 3'-S-(2-hydroxyethyl)-3'-thio-；1-[(2R,4S,5R)-4-(2-hydroxyethylsulfanyl)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
• CAS: 108895-43-8
• 化学式: C₁₂H₁₈N₂O₅S
• 分子量: 302.351
• InChiKey: NZEUEGWIRIHOQF-KXUCPTDWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  124
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1-(3-甲磺酰氧代-5-三苯代甲基氧代甲基-2-D-苏呋喃基)胸苷 生成 3'-S-(2-羟基乙基)-3'-硫代胸苷
  参考文献：
  名称：

  HERDEWIJN, P.;BALZARINI, J.;DE, CLERCQ E.;PAUWELS, R.;BABA, M.;BRODER, S.+, J. MED. CHEM., 30,(1987) N 8, 1270-1278

  摘要：

  DOI：

文献信息

• NEW 3′-DEOXYTHYMIDINES BEARING A NUCLEOPHILIC 3′-SUBSTITUENT
  作者：Anatoly M. Belostotskii、Helen Keren-Yeshuah、Jael Lexner、Alfred Hassner

  DOI：10.1081/ncn-100001439

  日期：2001.2.26

  New potential cancer-driven as well as HIV-driven nucleoside heteroanalogs, such as 3'-thio- and 3'- as well as 5'-selenosubstituted thymidines, have been synthesized. We also report an effective method for the preparation of novel nucleoside derivatives, bis(deoxynucleoside) diselenides, in nearly quantitative yields. The North conformation is significantly populated in the conformational equilibrium for-3'-alpha -alkylthiothymidines.
• HERDEWIJN, P.;BALZARINI, J.;DE, CLERCQ E.;PAUWELS, R.;BABA, M.;BRODER, S.+, J. MED. CHEM., 30,(1987) N 8, 1270-1278
  作者：HERDEWIJN, P.、BALZARINI, J.、DE, CLERCQ E.、PAUWELS, R.、BABA, M.、BRODER, S.+

  DOI：——

  日期：——