ethyl 6-<6-(methylbutyloxy)-2-naphthyl>-6-oxohexanoate | 110842-61-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: ethyl 6-<6-(methylbutyloxy)-2-naphthyl>-6-oxohexanoate
• 英文别名: Ethyl 6-oxo-6-(6-pentan-2-yloxynaphthalen-2-yl)hexanoate
• CAS: 110842-61-0
• 化学式: C₂₃H₃₀O₄
• 分子量: 370.489
• InChiKey: RBFFKBAFTDNTOB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  27
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-萘甲醚 在 盐酸 、 氢氧化钾 、 三氯化铝 、 sodium butyl sulfide 、 potassium carbonate 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 反应 59.0h， 生成 ethyl 6-<6-(methylbutyloxy)-2-naphthyl>-6-oxohexanoate
  参考文献：
  名称：

  Novel 6-oxo-6-naphthylhexanoic acid derivatives with anti-inflammatory and 5-lipoxygenase inhibitory activity

  摘要：

  A series of novel 6-(6-alkoxy-2-naphthyl)oxoalkanoates and alkanamides were synthesized as inhibitors of inflammation and 5-lipoxygenase. They were evaluated in vivo for anti-inflammatory activity in the established adjuvent arthritis assay in rats and in vitro as inhibitors of 5-lipoxygenase in rat basophilic leukemia (RBL) cells. N-Hydroxy-N-methyl-6-(6-methoxy-2-naphthyl)-6-oxohexanamide, compound 28, which is representative of the more potent anti-inflammatory / 5-lipoxygenase inhibitors in the series was approximately twice as potent as the standard, ibuprofen in the adjuvent rat and exhibited an IC50 of 0.25 micromolar in the RBL assay.

  DOI：

  10.1016/0223-5234(91)90025-i

文献信息

• MURRAY, WILLIAM V.;WACHTER, MICHAEL P.
  作者：MURRAY, WILLIAM V.、WACHTER, MICHAEL P.

  DOI：——

  日期：——
• US4814487A
  申请人：——

  公开号：US4814487A

  公开（公告）日：1989-03-21
• Novel 6-oxo-6-naphthylhexanoic acid derivatives with anti-inflammatory and 5-lipoxygenase inhibitory activity
  作者：WV Murray、MP Wachter、AM Kasper、DC Argentieri、RJ Capetola、DM Ritchie

  DOI：10.1016/0223-5234(91)90025-i

  日期：1991.3

  A series of novel 6-(6-alkoxy-2-naphthyl)oxoalkanoates and alkanamides were synthesized as inhibitors of inflammation and 5-lipoxygenase. They were evaluated in vivo for anti-inflammatory activity in the established adjuvent arthritis assay in rats and in vitro as inhibitors of 5-lipoxygenase in rat basophilic leukemia (RBL) cells. N-Hydroxy-N-methyl-6-(6-methoxy-2-naphthyl)-6-oxohexanamide, compound 28, which is representative of the more potent anti-inflammatory / 5-lipoxygenase inhibitors in the series was approximately twice as potent as the standard, ibuprofen in the adjuvent rat and exhibited an IC50 of 0.25 micromolar in the RBL assay.