[1-[2',5'-bis-O-tert-butyldimethylsilyl-β-D-ribofuranosyl]-3-N-ethylthymine]-3'-spiro-3''-(2''-H-4''-amino-2'',3''-dihydro-1'',1''-dioxo-isothiazole-5''-phenyl) | 1035648-57-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [1-[2',5'-bis-O-tert-butyldimethylsilyl-β-D-ribofuranosyl]-3-N-ethylthymine]-3'-spiro-3''-(2''-H-4''-amino-2'',3''-dihydro-1'',1''-dioxo-isothiazole-5''-phenyl)
• 英文别名: 1-[(5R,6S,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dioxo-3-phenyl-7-oxa-2lambda6-thia-1-azaspiro[4.4]non-3-en-8-yl]-3-ethyl-5-methylpyrimidine-2,4-dione；1-[(5R,6S,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dioxo-3-phenyl-7-oxa-2λ6-thia-1-azaspiro[4.4]non-3-en-8-yl]-3-ethyl-5-methylpyrimidine-2,4-dione
• CAS: 1035648-57-7
• 化学式: C₃₂H₅₂N₄O₇SSi₂
• 分子量: 693.024
• InChiKey: SJONYLKLFUBHRX-PGNSTBFXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.65
• 重原子数：
  46
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  149
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  [1-[2',5'-bis-O-tert-butyldimethylsilyl-β-D-ribofuranosyl]thymine]-3'-spiro-3''-(2''-H-4''-amino-2'',3''-dihydro-1'',1''-dioxo-isothiazole-5''-phenyl) 、 碘乙烷 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 以80%的产率得到[1-[2',5'-bis-O-tert-butyldimethylsilyl-β-D-ribofuranosyl]-3-N-ethylthymine]-3'-spiro-3''-(2''-H-4''-amino-2'',3''-dihydro-1'',1''-dioxo-isothiazole-5''-phenyl)
  参考文献：
  名称：

  Synthesis and anti-HIV1 biological activity of novel 5″-ATSAO compounds

  摘要：

  Aza TSAO-T derivatives bearing a substituted dihydroisothiazole dioxide ring with a phenyl group at 500 position were repared. Biological evaluation showed that phenyl group gives rise to a dramatical decrease of the inhibitory effect. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.02.026

文献信息

• Synthesis and anti-HIV1 biological activity of novel 5″-ATSAO compounds
  作者：Cyrille Tomassi、Albert Nguyen Van Nhien、José Marco-Contelles、Jan Balzarini、Christophe Pannecouque、Erik De Clercq、Denis Postel

  DOI：10.1016/j.bmc.2008.02.026

  日期：2008.4

  Aza TSAO-T derivatives bearing a substituted dihydroisothiazole dioxide ring with a phenyl group at 500 position were repared. Biological evaluation showed that phenyl group gives rise to a dramatical decrease of the inhibitory effect. (C) 2008 Elsevier Ltd. All rights reserved.