5-[5-(2,4-Bis-trifluoromethyl-phenyl)-pyridin-2-ylmethyl]-2-(2,3-difluoro-phenyl)-5H-imidazo[4,5-d]pyridazine | 1186483-12-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 5-[5-(2,4-Bis-trifluoromethyl-phenyl)-pyridin-2-ylmethyl]-2-(2,3-difluoro-phenyl)-5H-imidazo[4,5-d]pyridazine
• 英文别名: 5-[[5-[2,4-Bis(trifluoromethyl)phenyl]-2-pyridyl]methyl]-2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazine；5-[[5-[2,4-bis(trifluoromethyl)phenyl]pyridin-2-yl]methyl]-2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazine
• CAS: 1186483-12-4
• 化学式: C₂₅H₁₃F₈N₅
• 分子量: 535.399
• InChiKey: FQBJMQZHSNGSOI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  38
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  56.5
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  (5-(2,4-bis(trifluoromethyl)phenyl)pyridin-2-yl)methyl methanesulfonate 、 2-(2,3-difluorophenyl)-5H-imidazo[4,5-d]pyridazine 生成 5-[5-(2,4-Bis-trifluoromethyl-phenyl)-pyridin-2-ylmethyl]-2-(2,3-difluoro-phenyl)-5H-imidazo[4,5-d]pyridazine
  参考文献：
  名称：

  ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE

  摘要：

  本发明涉及公式（I）的化合物和组合物，其药学上可接受的盐和溶剂化物，以及其制备和用于治疗由Flaviviridae病毒家族中的病毒至少部分介导的病毒感染的用途。

  公开号：

  US20090226398A1

文献信息

• Processes For The Preparation Of Anti-Viral Compounds And Compositions Containing Them
  申请人：Leivers Martin Robert

  公开号：US20100029655A1

  公开（公告）日：2010-02-04

  Disclosed are processes for the preparation of compounds of formula I and compositions that comprise said compounds of formula I. Also disclosed are processes for the preparation of compounds of formula III and compositions that comprise said compounds of formula III.

  公开了制备公式I化合物的过程以及包含所述公式I化合物的组合物。 还公开了制备公式III化合物的过程以及包含所述公式III化合物的组合物。
• [EN] PROCESSES FOR THE PREPARATION OF ANTI-VIRAL COMPOUNDS AND COMPOSITIONS CONTAINING THEM<br/>[FR] PROCÉDÉS DE PRÉPARATION DE COMPOSÉS ANTIVIRAUX ET COMPOSITIONS LES CONTENANT
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2010006096A1

  公开（公告）日：2010-01-14

  Disclosed are processes for the preparation of compounds of formula I and compositions that comprise said compounds of formula I. See Formula I. Also disclosed are processes for the preparation of compounds of formula III and compositions that comprise said compounds of formula III. See Formula III.

  公开了制备式I化合物的过程和包含该式I化合物的组合物。请参见式I。还公开了制备式III化合物的过程和包含该式III化合物的组合物。请参见式III。
• [EN] DERIVATIVES OF IMIDAZO [4, 5-D] PYRIDAZINE AND THEIR USE AS ANTI-VIRAL COMPOUNDS<br/>[FR] DÉRIVÉS D'IMIDAZO[4,5-D]PYRIDAZINE ET LEUR UTILISATION EN TANT QUE COMPOSÉS ANTIVIRAUX
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2009111501A1

  公开（公告）日：2009-09-11

  Disclosed are compounds and compositions of Formula (I), pharmaceutically acceptable salts and solvates thereof, and their preparation and uses for treating viral infections mediated at least in part by a virus in the Flaviviridae family of viruses.