6-[3-fluoro-4-(morpholin-4-yl)phenyl]-4,5-dihydropyridazin-3(2H)-one | 84313-93-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: 6-[3-fluoro-4-(morpholin-4-yl)phenyl]-4,5-dihydropyridazin-3(2H)-one
• 英文别名: 6-[3-Fluoro-4-(morpholin-4-yl)phenyl]-4,5-dihydropyridazin-3(2H)-one；3-(3-fluoro-4-morpholin-4-ylphenyl)-4,5-dihydro-1H-pyridazin-6-one
• CAS: 84313-93-9
• 化学式: C₁₄H₁₆FN₃O₂
• 分子量: 277.298
• InChiKey: VFMKZXBOOXFNQI-UHFFFAOYSA-N

物化性质

• 密度：
  1.39±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  53.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-(3,4-二氟苯基)-4-氧代丁酸 在 溶剂黄146 、 肼 作用下， 以 水 为溶剂， 反应 26.0h， 生成 6-[3-fluoro-4-(morpholin-4-yl)phenyl]-4,5-dihydropyridazin-3(2H)-one
  参考文献：
  名称：

  6-(4-Morpholino-phenyl)-4,5-dihydro-2H-pyridazine-3-ones: potent platelet aggregation inhibitors and antithrombotics

  摘要：

  A series of di- and tri-substituted 6-phenyl-4,5-dihydro-2H-pyridazine-3-ones is described. The compounds were designed to be antithrombotics and were assessed for their inhibitory properties on platelet aggregation and on thrombus formation in an arteriovenous shunt in the rat. The synthesis and physical properties of the compounds are described. The structure-activity relationships reveal that non-aromatic nitrogen-containing heterocycles can confer high activity on the 6-phenyl-pyridazinone system, provided they are combined with an additional electron-withdrawing substituent in the phenyl ring. The most potent compounds (8i, 8b) had an ED(min) of 1-3 mg/kg after oral administration in the thrombus formation test.

  DOI：

  10.1016/0223-5234(91)90121-3

文献信息

• [EN] 6-PHENYL-4,5-DIHYDROPYRIDAZIN-3(2H)-ONE DERIVATIVES AS PDE3A AND PDE3B INHIBITORS FOR TREATING CANCER<br/>[FR] DÉRIVÉS DE 6-PHÉNYL-4,5-DIHYDROPYRIDAZIN-3(2H)-ONE UTILISÉS EN TANT QU'INHIBITEURS DE PDE3A ET PDE3B POUR LE TRAITEMENT DU CANCER
  申请人：BAYER AG

  公开号：WO2019025554A1

  公开（公告）日：2019-02-07

  The present invention provides 6-phenyl-4,5-dihydropyridazin-3(2H)- one derivatives of formula (I) : The present invention provides 6-phenyl-4,5-dihydropyridazin-3(2H)- one derivatives of formula (I) :

  本发明提供了式(I)的6-苯基-4,5-二氢吡啶啉-3(2H)-酮衍生物。
• COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER
  申请人：The Broad Institute, Inc.

  公开号：EP2970145B1

  公开（公告）日：2020-05-06
• 6-PHENYL-4,5-DIHYDROPYRIDAZIN-3(2H)-ONE DERIVATIVES AS PDE3A AND PDE3B INHIBITORS FOR TREATING CANCER
  申请人：Bayer Aktiengesellschaft

  公开号：EP3661917A1

  公开（公告）日：2020-06-10
• 6-((3-TRIFLUOROMETHYL)PHENYL)-4,5-DIHYDROPYRIDAZIN-3(2H)-ONE DERIVATIVES AS PDE3A AND PDE3B INHIBITORS FOR TREATING CANCER
  申请人：Bayer Aktiengesellschaft

  公开号：EP3661917B1

  公开（公告）日：2022-05-11