5-Benzyl-3-methyl-7-phenyl-5H-isoxazolo[4,5-d]pyridazin-4-one | 129663-28-1

• 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: 5-Benzyl-3-methyl-7-phenyl-5H-isoxazolo[4,5-d]pyridazin-4-one
• 英文别名: 5-benzyl-3-methyl-7-phenyl-[1,2]oxazolo[4,5-d]pyridazin-4-one
• CAS: 129663-28-1
• 化学式: C₁₉H₁₅N₃O₂
• 分子量: 317.347
• InChiKey: PCMZNZAINOSOEH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  58.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  Ethyl 5-[hydroxy(phenyl)methyl]-3-methyl-4-isoxazolecarboxylate 在 jones' reagent 、 溶剂黄146 作用下， 以 丙酮 为溶剂， 反应 7.0h， 生成 5-Benzyl-3-methyl-7-phenyl-5H-isoxazolo[4,5-d]pyridazin-4-one
  参考文献：
  名称：

  Chantegrel, Bernard; Deshayes, Christian; Pujol, Bernard, Journal of Heterocyclic Chemistry, 1990, vol. 27, # 4, p. 927 - 934

  摘要：

  DOI：

文献信息

• SUBSTITUTED ISOXAZOLOPYRIDAZINONES AND ISOTHIAZOLOPYRIDAZINONES AND METHODS OF USE
  申请人：AbbVie Inc.

  公开号：US20170073353A1

  公开（公告）日：2017-03-16

  Compounds of formula (I) and pharmaceutically acceptable salts thereof, wherein R 1 , R 2 and R 3 are as defined in the specification, are useful in treating conditions or disorders prevented by or ameliorated by positive allosteric modulation of the γ-aminobutyric acid B (GABA-B) receptor. Methods for making the compounds are described. Also described are pharmaceutical compositions of compounds of formula (I), and methods for using such compounds and compositions.

  式(I)的化合物及其药用盐，其中R1、R2和R3如规范中定义的那样，可用于治疗通过或通过正向变构调节γ-氨基丁酸B（GABA-B）受体预防或改善的症状或疾病。描述了制备这些化合物的方法。还描述了式(I)的化合物的药物组合物，以及使用这些化合物和组合物的方法。
• Substituted isoxazolopyridazinones and isothiazolopyridazinones and methods of use
  申请人：AbbVie Inc.

  公开号：US10556914B2

  公开（公告）日：2020-02-11

  Compounds of formula (I) and pharmaceutically acceptable salts thereof, wherein R1, R2 and R3 are as defined in the specification, are useful in treating conditions or disorders prevented by or ameliorated by positive allosteric modulation of the γ-aminobutyric acid B (GABA-B) receptor. Methods for making the compounds are described. Also described are pharmaceutical compositions of compounds of formula (I), and methods for using such compounds and compositions.

  式(I)化合物 及其药学上可接受的盐，其中 R1、R2 和 R3 如说明书中所定义，可用于治疗由 γ-氨基丁酸 B（GABA-B）受体的正异位调节所预防或改善的病症或紊乱。描述了制造这些化合物的方法。还描述了式(I)化合物的药物组合物，以及使用这种化合物和组合物的方法。
• Heterocyclic-fused 3(2H)-pyridazinones as potent and selective PDE IV inhibitors: Further structure-activity relationships and molecular modelling studies
  作者：Vittorio Dal Piaz、Maria Paola Giovannoni、Carla Castellana、José Maria Palacios、Jorge Beleta、Teresa Doménech、Victor Segarra

  DOI：10.1016/s0223-5234(99)80030-0

  日期：1998.10
• CHANTEGREL, BERNARD;DESHAYES, CHRISTIAN;PUJOL, BERNARD;WEI, ZHONG JIA, J. HETEROCYCL. CHEM., 27,(1990) N, C. 927-934
  作者：CHANTEGREL, BERNARD、DESHAYES, CHRISTIAN、PUJOL, BERNARD、WEI, ZHONG JIA

  DOI：——

  日期：——
• [EN] SUBSTITUTED ISOXAZOLOPYRIDAZINONES AND ISOTHIAZOLOPYRIDAZINONES AND METHODS OF USE<br/>[FR] ISOXAZOLOPYRIDAZINONES ET ISOTHIAZOLOPYRIDAZINONES SUBSTITUÉES ET PROCÉDÉS D'UTILISATION
  申请人：ABBVIE INC

  公开号：WO2017046117A1

  公开（公告）日：2017-03-23

  Compounds of formula (I) (I) and pharmaceutically acceptable salts thereof, wherein R1, R2 and R3 are as defined in the specification, are useful in treating conditions or disorders prevented by or ameliorated by positive allosteric modulation of the ϒ-aminobutyric acid B (GABA-B) receptor. Methods for making the compounds are described. Also described are pharmaceutical compositions of compounds of formula (I), and methods for using such compounds and compositions.