5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-2-oxo-1,2-dihydroquinolin-7-yl trifluoromethanesulfonate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-2-oxo-1,2-dihydroquinolin-7-yl trifluoromethanesulfonate
• 英文别名: [5-(2-Chlorophenyl)-1-(2,6-dichlorophenyl)-2-oxoquinolin-7-yl] trifluoromethanesulfonate
• 化学式: C₂₂H₁₁Cl₃F₃NO₄S
• 分子量: 548.754
• InChiKey: IUTXDWNTQOZANU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  34
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  72.1
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-2-oxo-1,2-dihydroquinolin-7-yl trifluoromethanesulfonate 在 platinum(IV) oxide 四(三苯基膦)钯 、 氢气 、 三氟乙酸 、 lithium chloride 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 乙酸乙酯 为溶剂， 生成 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-piperidin-4-ylquinolin-2(1H)-one
  参考文献：
  名称：

  p38 Inhibitors: piperidine- and 4-aminopiperidine-substituted naphthyridinones, quinolinones, and dihydroquinazolinones

  摘要：

  We have synthesized a series of C7-piperidine- and 4-aminopiperidine-substituted naphthyridinones, quinolinones, and dihydroquinazolinones that are highly potent inhibitors of both p38 MAP kinase activity and TNF-alpha release. The 4-aminopenta-methylpiperidine naphthyridinone 5, which was designed to block metabolism at major 'hot spots', combined excellent inhibitory potency with good oral bioavailability in the rat. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00990-3
• 作为产物：
  描述：

  5-bromo-1-(2,6-dichlorophenyl)-3,4-dihydro-7-methoxy-2(1H)-quinolinone 在 N-溴代丁二酰亚胺(NBS) 、 四(三苯基膦)钯 、 偶氮二异丁腈 、 三溴化硼 、 sodium carbonate 、 N,N-二异丙基乙胺 作用下， 以 四氯化碳 、 乙醇 、 二氯甲烷 、 甲苯 为溶剂， 生成 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-2-oxo-1,2-dihydroquinolin-7-yl trifluoromethanesulfonate
  参考文献：
  名称：

  p38 Inhibitors: piperidine- and 4-aminopiperidine-substituted naphthyridinones, quinolinones, and dihydroquinazolinones

  摘要：

  We have synthesized a series of C7-piperidine- and 4-aminopiperidine-substituted naphthyridinones, quinolinones, and dihydroquinazolinones that are highly potent inhibitors of both p38 MAP kinase activity and TNF-alpha release. The 4-aminopenta-methylpiperidine naphthyridinone 5, which was designed to block metabolism at major 'hot spots', combined excellent inhibitory potency with good oral bioavailability in the rat. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00990-3

文献信息

• (Halo-benzo carbonyl)heterocyclo fused phenyl p38 kinase inhibiting agents
  申请人：——

  公开号：US20030092712A1

  公开（公告）日：2003-05-15

  Compounds described by the chemical formula (I) or a pharmaceutically acceptable salt thereof: 1 are inhibitors of p38 useful in the treatment of inflammatory diseases such as arthritis.

  根据化学公式(I)或其药物可接受的盐描述的化合物： 1 是p38的抑制剂，可用于治疗类风湿性关节炎等炎症性疾病。
• US6809199B2
  申请人：——

  公开号：US6809199B2

  公开（公告）日：2004-10-26
• p38 Inhibitors: piperidine- and 4-aminopiperidine-substituted naphthyridinones, quinolinones, and dihydroquinazolinones
  作者：Julianne A Hunt、Florida Kallashi、Rowena D Ruzek、Peter J Sinclair、Ida Ita、Sherrie X McCormick、James V Pivnichny、C.E.C.A Hop、Sanjeev Kumar、Zhen Wang、Stephen J O'Keefe、Edward A O'Neill、Gene Porter、James E Thompson、Andrea Woods、Dennis M Zaller、James B Doherty

  DOI：10.1016/s0960-894x(02)00990-3

  日期：2003.2

  We have synthesized a series of C7-piperidine- and 4-aminopiperidine-substituted naphthyridinones, quinolinones, and dihydroquinazolinones that are highly potent inhibitors of both p38 MAP kinase activity and TNF-alpha release. The 4-aminopenta-methylpiperidine naphthyridinone 5, which was designed to block metabolism at major 'hot spots', combined excellent inhibitory potency with good oral bioavailability in the rat. (C) 2002 Elsevier Science Ltd. All rights reserved.