4-(6,8-dibromo-2-methyl-4-oxoquinazolin-3(4H)-yl)benzohydrazide | 15565-40-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 4-(6,8-dibromo-2-methyl-4-oxoquinazolin-3(4H)-yl)benzohydrazide
• 英文别名: 4-(6,8-dibromo-2-methyl-4-oxo-4H-quinazolin-3-yl)-benzoic acid hydrazide；4-(6,8-dibromo-2-methyl-4-oxoquinazolin-3-yl)benzohydrazide
• CAS: 15565-40-9
• 化学式: C₁₆H₁₂Br₂N₄O₂
• 分子量: 452.105
• InChiKey: AYWWCESYIPEEEI-UHFFFAOYSA-N

物化性质

• 密度：
  1.88±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.82
• 重原子数：
  24.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  90.01
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  4-(6,8-dibromo-2-methyl-4-oxoquinazolin-3(4H)-yl)benzohydrazide 在 sodium hydroxide 、 氯化亚砜 作用下， 反应 8.0h， 生成 6,8-dibromo-3-[4-[5-[[5-[4-(6,8-dibromo-2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]phenyl]-2-methylquinazolin-4-one
  参考文献：
  名称：

  Joshi Jr.; Sah; Pant, Journal of the Indian Chemical Society, 1991, vol. 68, # 7, p. 416 - 418

  摘要：

  DOI：
• 作为产物：
  描述：

  4-(6,8-dibromo-2-methyl-4-oxo-4H-quinazolin-3-yl)-benzoic acid ethyl ester 在 一水合肼 作用下， 以 乙醇 为溶剂， 生成 4-(6,8-dibromo-2-methyl-4-oxoquinazolin-3(4H)-yl)benzohydrazide
  参考文献：
  名称：

  Panda; Srinivas; Rao, M.E. Bhanoji, Journal of the Indian Chemical Society, 2002, vol. 79, # 9, p. 770 - 771

  摘要：

  DOI：

文献信息

• Synthesis and anticonvulsant activity of novel quinazolin-4(3H)-one derived pyrazole analogs
  作者：Veerachamy Alagarsamy、Govindaraj Saravanan

  DOI：10.1007/s00044-012-0169-9

  日期：2013.4

  Eighteen novel 6,8-(dibromo/unsubstituted)-2-(methyl/phenyl)-3-(4-(5-(substitutedphenyl)-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbonyl)phenyl)-quinazolin-4(3H)-ones 4a-4r were designed and synthesized in good yield. Antiepileptic screening of the title compounds was performed using MES and scPTZ seizures tests while the neurotoxicity was determined by rotorod test. In the preliminary screening, compounds 4d, 4e, 4p, 4q, and 4r were found active in MES model, while 4a, 4d, 4f, 4m, and 4p showed significant antiepileptic activity in scPTZ model. Further, all these eight compounds were administered to rats and compounds 4e, 4p, and 4q showed better activity than Phenytoin in oral route. Among these compounds 4p revealed protection in MES after i.p. administration at a dose of 30 mg/kg (0.5 h) and 100 mg/kg (4 h). The compound 4p also provided protection in the scPTZ at a dose of 100 mg/kg (0.5 h) and 300 mg/kg (4 h).