Tert-butyl 4-[4-(4-fluorophenyl)-5-methoxycarbonyl-1-methyl-3-pyridin-4-ylpyrrol-2-yl]piperazine-1-carboxylate | 678161-34-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: Tert-butyl 4-[4-(4-fluorophenyl)-5-methoxycarbonyl-1-methyl-3-pyridin-4-ylpyrrol-2-yl]piperazine-1-carboxylate
• CAS: 678161-34-7
• 化学式: C₂₇H₃₁FN₄O₄
• 分子量: 494.566
• InChiKey: ZGHBUGRBPXWFIE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  36
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  76.9
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  Tert-butyl 4-[4-(4-fluorophenyl)-5-methoxycarbonyl-1-methyl-3-pyridin-4-ylpyrrol-2-yl]piperazine-1-carboxylate 在 三乙酰氧基硼氢化钠 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 3-(4-fluorophenyl)-1-methyl-5-(4-methyl-1-piperazinyl)-4-(4-pyridinyl)-1H-pyrrole-2-carboxylic acid methyl ester
  参考文献：
  名称：

  Inhibitors of unactivated p38 MAP kinase

  摘要：

  Inhibition of the p38 map kinase pathway has been shown to be beneficial in the treatment of inflammatory diseases. The first class of potent p38 kinase inhibitors was the pyridinylimidazole compounds from SKB. Since then several pyridinylimidazole-based compounds have been shown to inhibit activated p38 kinase in vitro and in vivo. We have developed a novel series of pyridinylimidazole-based compounds, which potently inhibit the p38 pathway by binding to unactivated p38 kinase and only weakly inhibiting activated p38 kinase activity in vitro.

  DOI：

  10.1016/j.bmcl.2006.08.101
• 作为产物：
  描述：

  3-(4-氟苯基)-4-(4-吡啶基)-1H-吡咯-2-甲酸甲酯 在 N-溴代丁二酰亚胺(NBS) 、 tris(dibenzylideneacetone)dipalladium (0) 、 sodium hydride 、 caesium carbonate 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 作用下， 以 二氯甲烷 、 二甲基亚砜 、 甲苯 为溶剂， 生成 Tert-butyl 4-[4-(4-fluorophenyl)-5-methoxycarbonyl-1-methyl-3-pyridin-4-ylpyrrol-2-yl]piperazine-1-carboxylate
  参考文献：
  名称：

  Inhibitors of unactivated p38 MAP kinase

  摘要：

  Inhibition of the p38 map kinase pathway has been shown to be beneficial in the treatment of inflammatory diseases. The first class of potent p38 kinase inhibitors was the pyridinylimidazole compounds from SKB. Since then several pyridinylimidazole-based compounds have been shown to inhibit activated p38 kinase in vitro and in vivo. We have developed a novel series of pyridinylimidazole-based compounds, which potently inhibit the p38 pathway by binding to unactivated p38 kinase and only weakly inhibiting activated p38 kinase activity in vitro.

  DOI：

  10.1016/j.bmcl.2006.08.101

文献信息

• [EN] 3,4-DISUBSTITUTED PYRROLES AND THEIR FOR USE IN TREATING INFLAMMATORY DISEASES<br/>[FR] PYRROLES 3,4-DISUBSTITUES ET UTILISATION DE CEUX-CI POUR LE TRAITEMENT DE MALADIES INFLAMMATOIRES
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2004029040A1

  公开（公告）日：2004-04-08

  This invention provides novel substituted 3-(2,5-disubstituted)pyridyl-4-aryl pyrroles, and pharmaceutical compositions comprising same, useful for treating disorders ameliorated by reducing TNF-α production and/or p38 activity in appropriate cells. This invention also provides therapeutic and prophylactic methods using the instant pharmaceutical compositions.

  这项发明提供了新型的取代3-(2,5-二取代)吡啶基-4-芳基吡咯烷，并包括相同的药物组合物，用于治疗通过在适当细胞中减少TNF-α产生和/或p38活性而改善的疾病。该发明还提供了使用即时药物组合物的治疗和预防方法。