15-hydroxy-13-(2-hydroxybenzoyl)-9,10-dihydro-9,10-[4,5]epipyridazinoanthracen-12-one | 1311173-73-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酰胺类
• 英文名称: 15-hydroxy-13-(2-hydroxybenzoyl)-9,10-dihydro-9,10-[4,5]epipyridazinoanthracen-12-one
• CAS: 1311173-73-5
• 化学式: C₂₅H₁₈N₂O₄
• 分子量: 410.429
• InChiKey: QEFNZLHCIYLKDD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.77
• 重原子数：
  31.0
• 可旋转键数：
  1.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  90.2
• 氢给体数：
  2.0
• 氢受体数：
  4.0

文献信息

• Design, synthesis and antibacterial activity of new phthalazinedione derivatives
  作者：El-Galil Khalil、Moged Berghot、Mostafa Gouda

  DOI：10.2298/jsc091122028k

  日期：——

  Abstract : Dibenzobarallene ( 1 ) was utilized as the key intermediate for the syn-thesis of some new 2-substituted 1,4-dioxo-3,4,4a,5,10,10a-hexahydro-1 H - -5,10-[1’,2’]-benzenobenzo[ g ]phthalazine: 2 , 5a – d , 8a – c and 10 . Condensation of 2 with benzaldehyde or anisaldehyde gave the corresponding acrylonitrile derivatives 3a and , respectively. Thiophene derivatives b 4a and b were obtained

  摘要：二苯并barallene（1）被用作合成一些新的2-取代的1,4-二氧代-3,4,4a，5,10,10a-hexahydro-1 H--5,10的关键中间体-[[1'，2']-苯并苯并[g]酞嗪：2，5a – d，8a – c和10。2与苯甲醛或茴香醛缩合，分别得到相应的丙烯腈衍生物3a和3a。噻吩衍生物b 4a和b分别通过α与环己酮或环戊酮的Gewald反应获得。用乙酰氯或对甲苯磺酰氯处理5d，分别得到相应的酯6和7。用福尔马林环化8a – c得到相应的三嗪衍生物9a – c。用氢氧化钠将环10开环，得到相应的三唑衍生物11，当用戊基溴烷基化时，得到戊硫基衍生物12。建立了合成产物的代表性化合物，并将其评价为抗菌剂。关键字：二苯并barallene；酞嗪; 噻吩 三嗪 三唑 抗菌剂。介绍
• Synthesis, characterization, and anti-rheumatic potential of phthalazine-1,4-dione and its Cu(II) and Zn(II) complexes
  作者：Yousery E. Sherif、Nasser M. Hosny

  DOI：10.1007/s00044-013-0827-6

  日期：2014.5

  Two new metal complexes derived from the reaction of 2-[(2-hydroxybenzoyl) 2,3,4a,5,10,10a-hexahydro-5,10[1',2']-benzenobenzo[g]phthalazine-1,4-dione] (HBPD) with Cu(II) and Zn(II) have been synthesized and characterized by using elemental analysis, spectral analysis (UV-Vis, IR, H-1 NMR, C-13 NMR), conductance, thermal analysis, and magnetic moments. The in vivo collagen-adjuvant arthritis model in rats revealed a significant antioxidant, analgesic, and anti-rheumatic effects for HBPD and its copper and zinc complexes in comparison with standard piroxicam. The results showed that, the investigated Cu and Zn complexes have higher anti-inflammatory activity than the free ligand.