1-[5-[(3,7-diphenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxymethyl]-1-methyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 1-[5-[(3,7-diphenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxymethyl]-1-methyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
• 化学式: C₂₄H₂₄N₈O
• 分子量: 440.5
• InChiKey: MVQLFBFFXGEJJK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  33
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  86.3
• 氢给体数：
  0
• 氢受体数：
  7

文献信息

• TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS
  申请人：MERCK SHARP & DOHME LTD.

  公开号：EP1150983A1

  公开（公告）日：2001-11-07
• [EN] TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS<br/>[FR] DERIVES DE LA TRIAZOLO-PYRIDAZINE, LIANTS DES RECEPTEURS DU GABA
  申请人：MERCK SHARP & DOHME

  公开号：WO2000047582A1

  公开（公告）日：2000-08-17

  A class of substituted 1,2,4-triazolo[4,3-b]pyridazine derivatives, possessing an optionally substituted phenyl ring at the 3-position, and a C-substituted triazolyl-methoxy moiety at the 6-position, are selective ligands for GABAA receptors, in particular having high affinity for the α2 and/or α3 subunit thereof, and are accordingly of benefit in the treatment and/or prevention of disorders of the central nervous system, including anxiety and convulsions.