3-benzyl-2-[4-bromobenzylidenehydrazino]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide | 1400635-12-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并嘧啶酮衍生物
• 英文名称: 3-benzyl-2-[4-bromobenzylidenehydrazino]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
• 英文别名: 3-benzyl-2-[2-[(4-bromophenyl)methylidene]hydrazinyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
• CAS: 1400635-12-2
• 化学式: C₂₂H₁₈BrN₅O₂S
• 分子量: 496.387
• InChiKey: UDYFVZDVCBPJHY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.12
• 重原子数：
  31.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  102.37
• 氢给体数：
  2.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  3-benzyl-2-[4-bromobenzylidenehydrazino]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide 在 乙酸酐 作用下， 反应 8.0h， 以60%的产率得到7-acetyl-5-benzyl-8-(4-bromophenyl)-3-methyl-4-oxo-4,5,7,8-tetrahydrothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidine-2-carboxamide
  参考文献：
  名称：

  Design, synthesis and biological evaluation of some novel thienopyrimidines and fused thienopyrimidines as anti-inflammatory agents

  摘要：

  Some new substituted thienopyrimidine derivatives comprising thioxo, thioalkyl and pyrazolyl derivatives as well as fused thienotriazolopyrimidine and thienopyrimidinotriazine ring systems were prepared from 3-benzyl-2-hydrazino-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide 4. The designed compounds were evaluated for their anti-inflammatory activity. Compounds 4, 9, 10 and 13 showed the highest anti-inflammatory effect compared with the reference drug diclofenac sodium. (C) 2012 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2012.07.007
• 作为产物：
  描述：

  2-氨在-5-氨基羰基-4-甲基-3-噻吩羧酸乙酯 在 potassium carbonate 、 一水合肼 、 溶剂黄146 作用下， 以 乙醇 、 丙酮 、 乙腈 为溶剂， 反应 24.0h， 生成 3-benzyl-2-[4-bromobenzylidenehydrazino]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
  参考文献：
  名称：

  Design, synthesis and biological evaluation of some novel thienopyrimidines and fused thienopyrimidines as anti-inflammatory agents

  摘要：

  Some new substituted thienopyrimidine derivatives comprising thioxo, thioalkyl and pyrazolyl derivatives as well as fused thienotriazolopyrimidine and thienopyrimidinotriazine ring systems were prepared from 3-benzyl-2-hydrazino-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide 4. The designed compounds were evaluated for their anti-inflammatory activity. Compounds 4, 9, 10 and 13 showed the highest anti-inflammatory effect compared with the reference drug diclofenac sodium. (C) 2012 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2012.07.007

文献信息

• Design, synthesis and biological evaluation of some novel thienopyrimidines and fused thienopyrimidines as anti-inflammatory agents
  作者：Ola H. Rizk、Omaima G. Shaaban、Ibrahim M. El-Ashmawy

  DOI：10.1016/j.ejmech.2012.07.007

  日期：2012.9

  Some new substituted thienopyrimidine derivatives comprising thioxo, thioalkyl and pyrazolyl derivatives as well as fused thienotriazolopyrimidine and thienopyrimidinotriazine ring systems were prepared from 3-benzyl-2-hydrazino-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide 4. The designed compounds were evaluated for their anti-inflammatory activity. Compounds 4, 9, 10 and 13 showed the highest anti-inflammatory effect compared with the reference drug diclofenac sodium. (C) 2012 Elsevier Masson SAS. All rights reserved.