4-hydroxy-3-<(2-isopropylphenyl)sulfanyl>-6-phenylpyran-2-one

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 4-hydroxy-3-<(2-isopropylphenyl)sulfanyl>-6-phenylpyran-2-one
• 英文别名: 4-Hydroxy-3-[(2-isopropylphenyl)thio]-6-phenyl-2H-pyran-2-one；4-Hydroxy-3-(2-isopropylphenyl)sulfanyl-6-phenyl-pyran-2-one；4-hydroxy-6-phenyl-3-(2-propan-2-ylphenyl)sulfanylpyran-2-one
• 化学式: C₂₀H₁₈O₃S
• 分子量: 338.427
• InChiKey: KTIFKIQIKSWUCP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  71.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-异丙基苯硫酚 以 neat (no solvent) 为溶剂， 生成 4-hydroxy-3-<(2-isopropylphenyl)sulfanyl>-6-phenylpyran-2-one
  参考文献：
  名称：

  A topliss tree analysis of the HIV-protease inhibitory activity of 6-phenyl-4-hydroxy-pyran-2-ones

  摘要：

  In a study of 4-hydroxy-pyran-2-ones as possible inhibitors of HIV protease, a series of compounds were synthesized following the Topliss operational scheme for substitution on a phenyl group at the 6 position of the pyrone. In addition, a number of compounds with polar substituents were made. (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00180-1

文献信息

• Pyrone derivatives as protease inhibitors and antiviral agents
  申请人：Warner-Lambert Company

  公开号：US05808062A1

  公开（公告）日：1998-09-15

  The present invention relates to novel tri- and tetrasubstituted pyrones and related structures which potently inhibit the HIV aspartyl protease blocking HIV infectivity. The pyrone derivatives are useful in the development of therapies for the treatment of bacterial and viral infections and diseases, including AIDS. The present invention is also directed to methods of synthesis of multifunctionalized pyrones and of related structures.

  本发明涉及新颖的三取代和四取代吡喃酮及相关结构，能有效抑制HIV天冬氨酸蛋白酶，阻止HIV的感染性。这些吡喃酮衍生物在开发治疗细菌和病毒感染以及疾病，包括艾滋病的疗法中是有用的。本发明还涉及多功能吡喃酮及相关结构的合成方法。
• Vara Prasad; Lunney, Elizabeth A.; Ferguson, Donna, Journal of the American Chemical Society, 1995, vol. 117, # 45, p. 11070 - 11074
  作者：Vara Prasad、Lunney, Elizabeth A.、Ferguson, Donna、Tummino, Peter J.、Rubin, J. Ronald、Reyner, Eric L.、Stewart, Barbra H.、Guttendorf, Robert J.、Domagala, John M.、Suvorov, Leonid I.、Gulnik, Sergei V.、Topol, Igor A.、Bhat、Erickson, John W.

  DOI：——

  日期：——
• PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS
  申请人：PARKE, DAVIS & COMPANY

  公开号：EP0729465A1

  公开（公告）日：1996-09-04
• US5808062A
  申请人：——

  公开号：US5808062A

  公开（公告）日：1998-09-15
• US6005103A
  申请人：——

  公开号：US6005103A

  公开（公告）日：1999-12-21