2-bromo-1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazol-3-yl]-ethanone

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-bromo-1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazol-3-yl]-ethanone
• 英文别名: 2-Bromo-1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazol-3-yl]-ethanone；2-bromo-1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]ethanone
• 化学式: C₁₈H₁₂BrCl₃N₂O
• 分子量: 458.569
• InChiKey: NXZFCECLMKULBD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  34.9
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-bromo-1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazol-3-yl]-ethanone 、 环己基甲脒 以 二氯甲烷 为溶剂， 生成 5-(4-chloro-phenyl)-3-(2-cyclohexyl-3H-imidazol-4-yl)-1-(2,4-dichloro-phenyl)-4-methyl-1H-pyrazole
  参考文献：
  名称：

  Cannabinoid receptor ligands and uses thereof

  摘要：

  本文描述了作为大麻素受体配体的化合物（I）及其在治疗与动物体内大麻素受体调节相关疾病中的用途。

  公开号：

  US20040077650A1
• 作为产物：
  描述：

  1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazol-3-yl]-ethanone 在 溴 作用下， 以 chlofororm 为溶剂， 以87%的产率得到2-bromo-1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazol-3-yl]-ethanone
  参考文献：
  名称：

  Bioisosteric replacement of the hydrazide pharmacophore of the cannabinoid-1 receptor antagonist SR141716A. Part I: Potent, orally-active 1,4-disubstituted imidazoles

  摘要：

  A new series of CB(1) receptor antagonists incorporating an imidazole-based isosteric replacement for the hydrazide moiety of rimonabant (SR141716) is disclosed. Members of this imidazole series possess potent/selective binding to the rCB(1) receptor and exhibit potent hCB(1) functional activity. Isopropyl analog 9a demonstrated activity in the tetrad assay and was orally-active in a food intake model. (C) 2009 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2009.07.130

文献信息

• CANNABINOID RECEPTOR LIGANDS AND USES THEREOF
  申请人：Pfizer Products Inc.

  公开号：EP1556373A1

  公开（公告）日：2005-07-27
• [EN] CANNABINOID RECEPTOR LIGANDS AND USES THEREOF<br/>[FR] LIGANDS DES RECEPTEURS DES CANNABINOIDES ET APPLICATIONS DE CEUX-CI
  申请人：PFIZER PROD INC

  公开号：WO2004035566A1

  公开（公告）日：2004-04-29

  Compounds of Formula (I) that act as cannabinoid receptor ligands and their uses in the treatment of diseases linked to the modulation of the cannabinoid receptors in animals are described herein.
• Cannabinoid receptor ligands and uses thereof
  申请人：Pfizer Inc.

  公开号：US20040077650A1

  公开（公告）日：2004-04-22

  Compounds of Formula (I) that act as cannabinoid receptor ligands and their uses in the treatment of diseases linked to the modulation of the cannabinoid receptors in animals are described herein. 1

  本文描述了作为大麻素受体配体的化合物（I）及其在治疗与动物体内大麻素受体调节相关疾病中的用途。
• Bioisosteric replacement of the hydrazide pharmacophore of the cannabinoid-1 receptor antagonist SR141716A. Part I: Potent, orally-active 1,4-disubstituted imidazoles
  作者：Robert L. Dow、John R. Hadcock、Dennis O. Scott、Steven R. Schneider、Ernest S. Paight、Philip A. Iredale、Philip A. Carpino、David A. Griffith、Marlys Hammond、Paul DaSilva-Jardine

  DOI：10.1016/j.bmcl.2009.07.130

  日期：2009.9

  A new series of CB(1) receptor antagonists incorporating an imidazole-based isosteric replacement for the hydrazide moiety of rimonabant (SR141716) is disclosed. Members of this imidazole series possess potent/selective binding to the rCB(1) receptor and exhibit potent hCB(1) functional activity. Isopropyl analog 9a demonstrated activity in the tetrad assay and was orally-active in a food intake model. (C) 2009 Published by Elsevier Ltd.