2-{[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]thio}quinazolin-4(3H)one | 684276-18-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 2-{[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]thio}quinazolin-4(3H)one
• 英文别名: 2-{[2-(2,2,6,6-Tetramethylpiperidin-1-yl)ethyl]sulfanyl}quinazolin-4(1H)-one；2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethylsulfanyl]-3H-quinazolin-4-one
• CAS: 684276-18-4
• 化学式: C₁₉H₂₇N₃OS
• 分子量: 345.509
• InChiKey: PNCJIAYWFDDRMF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  70
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• QUINAZOLINONE-DERIVATIVES AND THEIR USE FOR PREPARATION OF PHARMACEUTICAL COMPOSITIONS HAVING PARP ENZYME INHIBITORY EFFECT
  申请人：Pécsi Tudomànyegyetem

  公开号：EP1622881B1

  公开（公告）日：2010-05-26
• Quinazolinone-derivatives and their use for preparation of pharmaceutical compositions having parp enzyme inhibitory effect
  申请人：Sumegi Balazs

  公开号：US20070042935A1

  公开（公告）日：2007-02-22

  The subject of the present invention are quinazoline derivatives and their pharmaceutically acceptable salts of general formula (I), that inhibit a DNA-repairing enzyme, poly(ADP-ribose) polymerase (PARP), enabling them to be used for the preparation of pharmaceutical compositions for preventing or treating illnesses where PARP-inhibition yields a beneficial effect. In general formula (I) R 1 stands for either hydrogen or a group of general formula (a); R 2 stands for a) hydrogen or C 1-6 alkyl group, if R 1 is other than hydrogen, and b) if R 1 is hydrogen, then R 2 may be a group of general formula (b), (c) or (d). The subject of the present invention also embraces the preparation processes of the compounds described above.
• US7994182B2
  申请人：——

  公开号：US7994182B2

  公开（公告）日：2011-08-09