4-(3-fluorophenyl)-3-methylisoxazolo[3,4-d]pyridazin-7(6H)-one | 627501-25-1

• 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: 4-(3-fluorophenyl)-3-methylisoxazolo[3,4-d]pyridazin-7(6H)-one
• 英文别名: 4-(3-fluorophenyl)-3-methyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one
• CAS: 627501-25-1
• 化学式: C₁₂H₈FN₃O₂
• mdl: MFCD16991142
• 分子量: 245.213
• InChiKey: XCWYCSBNMOEJTQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  67.5
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-(3-fluorophenyl)-3-methylisoxazolo[3,4-d]pyridazin-7(6H)-one 、 alkaline earth salt of/the/ methylsulfuric acid 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以85%的产率得到6-benzyl-4-(3-fluorophenyl)-3-methylisoxazolo[3,4-d]pyridazin-7(6H)-one
  参考文献：
  名称：

  Pyrazolo[1′,5′:1,6]pyrimido[4,5-d]pyridazin-4(3H)-ones as selective human A1 adenosine receptor ligands

  摘要：

  A series of pyrazolo[1',5':1,6]pyrimido[4,5-d]pyridazin-4(3H)-ones was synthesized and tested in radio-ligand binding assays to determine their affinities for the human adenosine A(1), A(2A), A(2B) and A(3) receptors. Results indicated that this scaffold is appropriate for adenosine receptor subtype A1 ligands and that the best arranged groups around this scaffold are 3- and 4-pyridinyl at position 1, benzyl at position 3, hydrogen at position 6 and 3- thienyl or phenyl at position 9. The most interesting compounds showed K-i for A1 in the nanomolar range and an appreciable selectivity for other receptor subtypes. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2010.09.043

文献信息

• [EN] NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES<br/>[FR] NOUVEAUX DERIVES DE PYRIDAZIN-3(2H)-ONE
  申请人：ALMIRALL PRODESFARMA SA

  公开号：WO2004058729A1

  公开（公告）日：2004-07-15

  Pyridazin-3(2H)-one derivatives of formula (I) are found to inhibit PDE-4:, wherein R1, R2 and R4 are organic radicals, R3 is a cyclic group, and R5 is an ester or an aryl or heteroaryl group.

  式(I)的吡啶嗪-3(2H)-酮衍生物被发现能抑制PDE-4：其中R1、R2和R4为有机基团，R3为环状基团，R5为酯基或芳基或杂芳基。
• [EN] PYRIDAZIN-3(2H)-ONE DERIVATIVES AS PDE4 INHIBITORS<br/>[FR] DERIVES DE LA PYRIDAZINE-3(2h)-ONE, INHIBITEURS DE LA PDE4
  申请人：ALMIRALL PRODESFARMA SA

  公开号：WO2003097613A1

  公开（公告）日：2003-11-27

  New pyridazin-3(2H)-one derivatives having the chemical structure of general formula (I); are disclosed; as well as processes for their preparation, pharmaceutical compositions comprising them and their use in therapy as inhibitors of phosphodiesterase 4.

  新的吡啶并嗪-3(2H)-酮衍生物具有一般式(I)的化学结构；公开了它们的制备方法，包括它们的药物组合物以及它们作为磷酸二酯酶4抑制剂在治疗中的用途。
• New pyridazin-3(2h)-one derivatives
  申请人：Dal Piaz Vittorio

  公开号：US20060173008A1

  公开（公告）日：2006-08-03

  Pyridazin-3(2H)-one derivatives of formula (I) are found to inhibit PDE-4. R 1 , R 2 and R 4 are organic radicals, R 3 is a cyclic group, and R 5 is an ester or an aryl or heteroaryl group.

  公式（I）的吡啶并嗪-3（2H）-酮衍生物被发现可以抑制PDE-4。R1，R2和R4是有机基团，R3是一个环状基团，R5是酯基或芳基或杂环基团。
• Pyridazin-3(2h)-one derivatives as pde4 inhibitors
  申请人：Dal Piaz Vittorio

  公开号：US20060052379A1

  公开（公告）日：2006-03-09

  New pyridazin-3(2H)-one derivatives having the chemical structure of general formula (I) are disclosed; as well as process for their preparation, pharmaceutical compositions comprising them and their use in therapy as inhibitors of phosphodiesterase 4.

  本发明公开了具有一般式(I)化学结构的新吡啶并嗪-3(2H)-酮衍生物；以及其制备过程、包含它们的制药组合物以及它们作为磷酸二酯酶4抑制剂在治疗中的应用。
• PYRIDAZIN-3 (2H) -ONE DERIVATIVES AS PDE4 INHIBITORS
  申请人：Dal Piaz Vittorio

  公开号：US20080269235A1

  公开（公告）日：2008-10-30

  New pyridazin-3(2H)-one derivatives having the chemical structure of general formula (I) are disclosed; as well as process for their preparation, pharmaceutical compositions comprising them and their use in therapy as inhibitors of phosphodiesterase 4.

  本发明揭示了具有一般式(I)的化学结构的新吡啶并嗪-3(2H)-酮衍生物，以及它们的制备方法、含有它们的药物组合物以及它们作为磷酸二酯酶4抑制剂在治疗中的使用。