3-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)isoxazole | 1617532-89-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 3-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)isoxazole
• 英文别名: 3-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-1,2-oxazole
• CAS: 1617532-89-4
• 化学式: C₂₀H₁₆N₂O
• 分子量: 300.36
• InChiKey: BENCEUOHQDHYFG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  41.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  甲基(2,4,5-三甲基-1H-吡咯-3-基)甲酮 在 盐酸羟胺 、 potassium carbonate 作用下， 以 5,5-dimethyl-1,3-cyclohexadiene 、 乙醇 为溶剂， 反应 5.0h， 生成 3-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)isoxazole
  参考文献：
  名称：

  Diphenylpyrroles: Novel p53 activators

  摘要：

  Cellular tumor antigen p53 is crucial for cancer prevention via different mechanisms. E3 ubiquitin-protein ligase HDM2 binds to p53, blocks its ability to activate transcription, and therefore acts as a negative regulator. Blocking p53 binding site on HDM2 was believed to generate efficient antitumor agents. So far, limited scaffolds were reported with HDM2 antagonist activity. Herein, diphenylpyrroles were introduced and evaluated as a novel scaffold in the field of p53 activators. An efficient synthesis of novel 3-heteroaryl-pyrroles is described via reactions of E-3-(dimethylamino)-1-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yeprop-2-en-1-one OF E-1-(2-methyl-4,5-diphenyl-1H-pyrrol-3 -yl)-3 morpholinoprop-2-en-1-one with hydrazine hydrate, phenyl hydrazine, hydroxylamine, various heterocyclic amines and active methylene compounds. (C) 2014 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2014.05.082

文献信息

• Diphenylpyrroles: Novel p53 activators
  作者：Sobhi M. Gomha、Taha M.A. Eldebss、Mohamed M. Abdulla、Abdelrahman S. Mayhoub

  DOI：10.1016/j.ejmech.2014.05.082

  日期：2014.7

  Cellular tumor antigen p53 is crucial for cancer prevention via different mechanisms. E3 ubiquitin-protein ligase HDM2 binds to p53, blocks its ability to activate transcription, and therefore acts as a negative regulator. Blocking p53 binding site on HDM2 was believed to generate efficient antitumor agents. So far, limited scaffolds were reported with HDM2 antagonist activity. Herein, diphenylpyrroles were introduced and evaluated as a novel scaffold in the field of p53 activators. An efficient synthesis of novel 3-heteroaryl-pyrroles is described via reactions of E-3-(dimethylamino)-1-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yeprop-2-en-1-one OF E-1-(2-methyl-4,5-diphenyl-1H-pyrrol-3 -yl)-3 morpholinoprop-2-en-1-one with hydrazine hydrate, phenyl hydrazine, hydroxylamine, various heterocyclic amines and active methylene compounds. (C) 2014 Elsevier Masson SAS. All rights reserved.