2-[[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]thio]methyl]-1H-quinazolin-4-one

• 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-[[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]thio]methyl]-1H-quinazolin-4-one
• 英文别名: 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanylmethyl]-3H-quinazolin-4-one
• 化学式: C₁₇H₁₉N₉OS
• 分子量: 397.5
• InChiKey: IECJXZRDSYZSHQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  147
• 氢给体数：
  3
• 氢受体数：
  8

文献信息

• HETEROCYCLIC INHIBITORS OF PDE4
  申请人：Govek Steven P.

  公开号：US20090275586A1

  公开（公告）日：2009-11-05

  The present invention is directed to potent and selective heterocyclic compounds, useful as inhibitors of phosphodiesterase 4 (PDE4), compositions comprising the same, and their application as pharmaceuticals for the treatment of disease. Methods of inhibition of PDE4 activity are also provided, as well as methods for the treatment of inflammatory diseases and other diseases in which PDE4 or one of its isoforms may play a role.
• METHOD FOR INHIBITING MMP-9 DIMERIZATION
  申请人：CAO Jian

  公开号：US20120277236A1

  公开（公告）日：2012-11-01

  A method of inhibiting matrix metalloproteinase 9 (MMP-9) dimerization without substantially inhibiting the catalytic activity of MMP-9, comprising contacting the MMP-9 with a small molecule compound of the structure wherein A is a ring structure which is substituted by R 2 , R 3 and R 4 ; X is present or absent and when present is NH, O, ester or N-monosubstituted amide; Z is S, O, or N; n is an integer from 0-5; R 1 is alkyl, aryl, heteroalkyl, or heteroaryl, each with or without substitution; and R 2 , R 3 , and R 4 is each present or absent, and is each independently H, alkyl, aryl, heteroalkyl, heteroaryl, each with or without substitution, or a pharmaceutically acceptable salt thereof.
• [EN] HETEROCYCLIC INHIBITORS OF PDE4<br/>[FR] INHIBITEURS HÉTÉROCYCLIQUES DE PDE4
  申请人：KALYPSYS INC

  公开号：WO2008045664A2

  公开（公告）日：2008-04-17

  [EN] The present invention is directed to potent and selective heterocyclic compounds, useful as inhibitors of phosphodiesterase 4 (PDE4), compositions comprising the same, and their application as pharmaceuticals for the treatment of disease. Methods of inhibition of PDE4 activity are also provided, as well as methods for the treatment of inflammatory diseases and other diseases in which PDE4 or one of its isoforms may play a role.
  [FR] L'invention concerne des composés hétérocycliques puissants et sélectifs, servant d'inhibiteurs de la phosphodiestérase 4 (PDE4), des compositions comprenant ces composés, et leur application en tant que substances pharmaceutiques destinées à traiter des maladies. L'invention concerne également des procédés d'inhibition de l'activité de PDE4, ainsi que des procédés visant à traiter des maladies inflammatoires ou d'autres maladies dans lesquelles PDE4 ou l'une de ses isoformes peut jouer un rôle.