4-((8-(2,4-difluorophenyl)-7-methyl-4-oxo-4H-pyrimido[1,2-b]pyridazin-2-yl)methylamino)benzonitrile | 1221131-04-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡唑并嘧啶类
• 英文名称: 4-((8-(2,4-difluorophenyl)-7-methyl-4-oxo-4H-pyrimido[1,2-b]pyridazin-2-yl)methylamino)benzonitrile
• 英文别名: 4-[[8-(2,4-Difluorophenyl)-7-methyl-4-oxopyrimido[1,2-b]pyridazin-2-yl]methylamino]benzonitrile
• CAS: 1221131-04-9
• 化学式: C₂₂H₁₅F₂N₅O
• 分子量: 403.391
• InChiKey: MRJXWKWWOINSES-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  80.8
• 氢给体数：
  1
• 氢受体数：
  7

文献信息

• PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF
  申请人：Xu Lifeng

  公开号：US20120178915A1

  公开（公告）日：2012-07-12

  This invention relates with the arylheterocycle-fused pyrimidines, derivatives and analogs of formula I: or stereoisomers, tautoers, prodrugs, pharmaceutically acceptable salts, complex salts or solvates thereof, wherein: A-cycle is of 3-8 saturated or unsaturated arylheterocycles or aliheterocyclic, containing 1-4 heteroatoms, B-cycle 5-8 member saturated or unsaturated heterocycle containing 1-4 heteroatoms; X 1 , X 2 , X 3 , X 4 are, independently at each occurrence, C, O, S, Se, N and P elements; R 1 , R 2 , R 3 is a substituent containing alicyclic group, arylcycle group, heterocyclic group, adamantane alkyl, adamantane heterocycle, adamantane analogs, sugar group, hydroxyl group, amino acid group or a combination of the above substituents. This invention also relates with their preparative methods and applications.

  该发明涉及与芳基杂环融合的嘧啶类化合物、衍生物和类似物的公式I：或其立体异构体、互变异构体、前药、药学上可接受的盐、复盐或溶剂化合物，其中：A环是由3-8个饱和或不饱和的芳基杂环或芳杂环组成，含有1-4个杂原子，B环是由5-8个成员的饱和或不饱和杂环组成，含有1-4个杂原子；X1、X2、X3、X4在每次出现时独立地是C、O、S、Se、N和P元素；R1、R2、R3是含有脂环基团、芳环基团、杂环基团、金刚烷烷基、金刚烷杂环、金刚烷类似物、糖基、羟基、氨基酸基团或上述基团的组合的取代基。该发明还涉及它们的制备方法和应用。
• [EN] PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF<br/>[FR] DÉRIVÉS ET ANALOGUES DE PYRIMIDINE, LEUR PROCÉDÉ DE PRÉPARATION ET LEUR UTILISATION
  申请人：LIAONING LIFENG SCIENT & TECHNOLOGY DEV COMPANY LTD

  公开号：WO2011035518A1

  公开（公告）日：2011-03-31

  Pyrimidine derivatives and analogs, their pharmaceutically acceptable salts, processes for preparing them, pharmaceutical compositions comprising them, and their use in manufacture of medicaments for treating inflammatory and infectious diseases induced by bacteria and/or fungi are disclosed.