[2-bis-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazol-3-yl]methyl]amino]acetic acid | 1291068-05-7

• 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-bis-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazol-3-yl]methyl]amino]acetic acid
• 英文别名: [2-Bis-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazol-3-yl]methyl]amino] acetic acid (13c)；2-[bis[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]methyl]amino]acetic acid
• CAS: 1291068-05-7
• 化学式: C₃₆H₂₇Cl₆N₅O₂
• 分子量: 774.361
• InChiKey: LVLITHSBRHXBBU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.4
• 重原子数：
  49
• 可旋转键数：
  10
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  76.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-(bromomethyl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole 在 甲醇 、 sodium ethanolate 、 potassium hydroxide 作用下， 以 甲醇 为溶剂， 反应 2.5h， 生成 [2-bis-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazol-3-yl]methyl]amino]acetic acid
  参考文献：
  名称：

  Design, synthesis and biological evaluation of CB1 cannabinoid receptor ligands derived from the 1,5-diarylpyrazole scaffold

  摘要：

  The CB1 receptor belongs to the G-protein-coupled receptor superfamily. CB1 antagonism has been considered as a new therapeutic target for the treatment of obesity. In this study, we report the synthesis and in vitro binding affinity assay of some 1,5-diarylpyrazole scaffold compounds. The binding results showed that some of the target compounds had an excellent potency toward the CB1 receptor with IC(50) values lying at the nanomole level.

  DOI：

  10.3109/14756366.2010.491794