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2-(6-chloro-9-(hexylmethylcarbamoyl)carbazol-2-yl)propanoic acid | 1402840-77-0

中文名称
——
中文别名
——
英文名称
2-(6-chloro-9-(hexylmethylcarbamoyl)carbazol-2-yl)propanoic acid
英文别名
2-[6-Chloro-9-[hexyl(methyl)carbamoyl]carbazol-2-yl]propanoic acid;2-[6-chloro-9-[hexyl(methyl)carbamoyl]carbazol-2-yl]propanoic acid
2-(6-chloro-9-(hexylmethylcarbamoyl)carbazol-2-yl)propanoic acid化学式
CAS
1402840-77-0
化学式
C23H27ClN2O3
mdl
——
分子量
414.932
InChiKey
XNVSKXKATRVKNI-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    6.2
  • 重原子数:
    29
  • 可旋转键数:
    7
  • 环数:
    3.0
  • sp3杂化的碳原子比例:
    0.39
  • 拓扑面积:
    62.5
  • 氢给体数:
    1
  • 氢受体数:
    3

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为产物:
    描述:
    卡洛芬4-二甲氨基吡啶硫酸三乙胺 、 lithium hydroxide 作用下, 以 四氢呋喃甲醇 为溶剂, 反应 24.0h, 生成 2-(6-chloro-9-(hexylmethylcarbamoyl)carbazol-2-yl)propanoic acid
    参考文献:
    名称:
    Identification and Characterization of Carprofen as a Multitarget Fatty Acid Amide Hydrolase/Cyclooxygenase Inhibitor
    摘要:
    Pain and inflammation are major therapeutic areas for drug discovery. Current drugs for these pathologies have limited efficacy, however, and often cause a number of unwanted side effects. In the present study, we identify the nonsteroidal anti-inflammatory drug carprofen as a multitarget-directed ligand that simultaneously inhibits cyclooxygenase-1 (COX-1), COX-2, and fatty acid amide hydrolase (FAAH). Additionally, we synthesized and tested several derivatives of carprofen, sharing this multitarget activity. This may result in improved analgesic efficacy and reduced side effects (Naidu et al. J. Pharmacol. Exp. Ther. 2009, 329, 48-56; Fowler, C. J.; et al. J. Enzyme Inhib. Med. Chem. 2012, in press; Sasso et al. Pharmacol. Res. 2012, 65, 553). The new compounds are among the most potent multitarget FAAH/COX inhibitors reported so far in the literature and thus may represent promising starting points for the discovery of new analgesic and anti-inflammatory drugs.
    DOI:
    10.1021/jm3011146
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文献信息

  • Identification and Characterization of Carprofen as a Multitarget Fatty Acid Amide Hydrolase/Cyclooxygenase Inhibitor
    作者:Angelo D. Favia、Damien Habrant、Rita Scarpelli、Marco Migliore、Clara Albani、Sine Mandrup Bertozzi、Mauro Dionisi、Glauco Tarozzo、Daniele Piomelli、Andrea Cavalli、Marco De Vivo
    DOI:10.1021/jm3011146
    日期:2012.10.25
    Pain and inflammation are major therapeutic areas for drug discovery. Current drugs for these pathologies have limited efficacy, however, and often cause a number of unwanted side effects. In the present study, we identify the nonsteroidal anti-inflammatory drug carprofen as a multitarget-directed ligand that simultaneously inhibits cyclooxygenase-1 (COX-1), COX-2, and fatty acid amide hydrolase (FAAH). Additionally, we synthesized and tested several derivatives of carprofen, sharing this multitarget activity. This may result in improved analgesic efficacy and reduced side effects (Naidu et al. J. Pharmacol. Exp. Ther. 2009, 329, 48-56; Fowler, C. J.; et al. J. Enzyme Inhib. Med. Chem. 2012, in press; Sasso et al. Pharmacol. Res. 2012, 65, 553). The new compounds are among the most potent multitarget FAAH/COX inhibitors reported so far in the literature and thus may represent promising starting points for the discovery of new analgesic and anti-inflammatory drugs.
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