5-methyl-1-(4-trifluoromethyl-phenyl)-1H-pyrazole-3-carboxylic acid | 1020724-21-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-methyl-1-(4-trifluoromethyl-phenyl)-1H-pyrazole-3-carboxylic acid
• 英文别名: 1-(4-Trifluoromethyl-phenyl)-5-methyl-1H-pyrazole-3-carboxylic acid；5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid
• CAS: 1020724-21-3
• 化学式: C₁₂H₉F₃N₂O₂
• mdl: MFCD08443784
• 分子量: 270.211
• InChiKey: JIIXRXWVDOIXQU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  55.1
• 氢给体数：
  1
• 氢受体数：
  6

安全信息

• 海关编码：
  2933199090

反应信息

• 作为反应物：
  描述：

  3,5-二氯苯胺 、 5-methyl-1-(4-trifluoromethyl-phenyl)-1H-pyrazole-3-carboxylic acid 在 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 二氯甲烷 为溶剂， 生成 5-Methyl-1-(4-trifluoromethyl-phenyl)-1H-pyrazole-3-carboxylic acid (3,5-dichloro-phenyl)-amide
  参考文献：
  名称：

  Pyrazolecarboxamide human neuropeptide Y5 receptor ligands with in vivo antifeedant activity

  摘要：

  1-Aryl-3-carboxamido-5-alkylpyrazoles were prepared based on a hit found in high-throughput screening of our corporate Compound library in an assay measuring affinity for the human neuropeptide Y5 receptor. 1-(3-Trifluoromethylphenyl)-3-[N-(5-quinolinyl)carboxamido]-5-methylpyrazole (31) bound to the human neuropeptide Y5 receptor with a 80 nM IC50 and was shown to inhibit cumulative food consumption 43.2% 2-6 It after ip dosing in a fasting-induced feeding model in rats. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00449-8
• 作为产物：
  描述：

  4-(三氟甲基)苯肼 在 sodium hydroxide 、 溶剂黄146 作用下， 以 吡啶 为溶剂， 生成 5-methyl-1-(4-trifluoromethyl-phenyl)-1H-pyrazole-3-carboxylic acid
  参考文献：
  名称：

  Pyrazolecarboxamide human neuropeptide Y5 receptor ligands with in vivo antifeedant activity

  摘要：

  1-Aryl-3-carboxamido-5-alkylpyrazoles were prepared based on a hit found in high-throughput screening of our corporate Compound library in an assay measuring affinity for the human neuropeptide Y5 receptor. 1-(3-Trifluoromethylphenyl)-3-[N-(5-quinolinyl)carboxamido]-5-methylpyrazole (31) bound to the human neuropeptide Y5 receptor with a 80 nM IC50 and was shown to inhibit cumulative food consumption 43.2% 2-6 It after ip dosing in a fasting-induced feeding model in rats. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00449-8

文献信息

• [EN] PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS<br/>[FR] DÉRIVÉS PHÉNYLALANINES ET LEUR UTILISATION COMME MODULATEURS NON PEPTIDIQUES DU RÉCEPTEUR DE GLP-1
  申请人：ARGUSINA INC

  公开号：WO2011094890A1

  公开（公告）日：2011-08-11

  Provided herein are non-peptide GLP-1 receptor modulator compounds, for example, of Formula (I), pharmaceutical compositions comprising such compounds, and processes of preparation thereof. Also provided are methods of their use for the treatment of a metabolic disorder.

  本文提供了非肽类GLP-1受体调节剂化合物，例如，Formula (I)的化合物，包括这些化合物的药物组合物，以及其制备方法。还提供了这些化合物用于治疗代谢紊乱的方法。