1-(4-Bromophenyl)-2-[3-(6-oxo-1,6-dihydro-3-pyridazinylmethyl)phenoxy]-1-ethanone

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(4-Bromophenyl)-2-[3-(6-oxo-1,6-dihydro-3-pyridazinylmethyl)phenoxy]-1-ethanone
• 英文别名: 3-[[3-[2-(4-bromophenyl)-2-oxoethoxy]phenyl]methyl]-1H-pyridazin-6-one
• 化学式: C₁₉H₁₅BrN₂O₃
• 分子量: 399.244
• InChiKey: RSVIWLKQETXVEX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  67.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-甲氧基氯苄 在 盐酸 、 氢溴酸 、 sodium hydride 、 溶剂黄146 作用下， 以 水 、 二甲基亚砜 、 N,N-二甲基甲酰胺 为溶剂， 反应 16.25h， 生成 1-(4-Bromophenyl)-2-[3-(6-oxo-1,6-dihydro-3-pyridazinylmethyl)phenoxy]-1-ethanone
  参考文献：
  名称：

  3-O-Substituted benzyl pyridazinone derivatives as COX inhibitors

  摘要：

  New 3-O-substituted benzyl pyridazinone compounds have been synthesised and evaluated for their cyclooxygenase inhibitor,, activity and COX-2 selectivity. Among the compounds synthesised. three compounds (11b-11d) have shown in vitro COX-2 selectivity. These Compounds have been evaluated for their in vivo potential using carrageenan-induced rat paw edema assay. One compound (11b) showed 32% anti-inflammatory activity at 30 mg k(-1) dose. (C) 2002 Editions scientifiques et medicales Elsevier SAS. All rights reserved.

  DOI：

  10.1016/s0223-5234(02)01336-3

文献信息

• 3-O-Substituted benzyl pyridazinone derivatives as COX inhibitors
  作者：Vamsee Krishna Chintakunta、Venkateswarlu Akella、Manohar Sharma Vedula、Prem Kumar Mamnoor、Parimal Mishra、Seshagiri Rao Casturi、Akhila Vangoori、Ramanujam Rajagopalan

  DOI：10.1016/s0223-5234(02)01336-3

  日期：2002.4

  New 3-O-substituted benzyl pyridazinone compounds have been synthesised and evaluated for their cyclooxygenase inhibitor,, activity and COX-2 selectivity. Among the compounds synthesised. three compounds (11b-11d) have shown in vitro COX-2 selectivity. These Compounds have been evaluated for their in vivo potential using carrageenan-induced rat paw edema assay. One compound (11b) showed 32% anti-inflammatory activity at 30 mg k(-1) dose. (C) 2002 Editions scientifiques et medicales Elsevier SAS. All rights reserved.