1-(4-(trifluoromethyl)phenyl)-1H-pyrazole-3-carboxylic acid | 1143521-43-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(4-(trifluoromethyl)phenyl)-1H-pyrazole-3-carboxylic acid
• 英文别名: 1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid
• CAS: 1143521-43-0
• 化学式: C₁₁H₇F₃N₂O₂
• mdl: MFCD11544057
• 分子量: 256.184
• InChiKey: QBDFYHKKZDWPGD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  55.1
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1-(4-(trifluoromethyl)phenyl)-1H-pyrazole-3-carboxylic acid 在 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 生成 2-methyl-1-(1-(4-(trifluoromethyl)phenyl)-1H-pyrazol-3-yl)propan-1-one
  参考文献：
  名称：

  Discovery and Optimization of Substituted 1-(1-Phenyl-1H-pyrazol-3-yl)methanamines as Potent and Efficacious Type II Calcimimetics

  摘要：

  Our efforts to discover potent, orally bioavailable type II calcimimetic agents for the treatment of secondary hyperparathyroidism focused on the development of ring constrained analogues of the known calcimimetic R-568. The structure-activity relationships of various substituted heterocycles and their effects oil the human calcium-sensing receptor are discussed. Pyrazole 15 was shown to be efficacious in a rat in vivo pharmacodynamic model.

  DOI：

  10.1021/jm9012278
• 作为产物：
  描述：

  methyl 1-(4-(trifluoromethyl)phenyl)-1H-pyrazole-3-carboxylate 在 lithium hydroxide 作用下， 生成 1-(4-(trifluoromethyl)phenyl)-1H-pyrazole-3-carboxylic acid
  参考文献：
  名称：

  [EN] CALCIUM RECEPTOR MODULATING AGENTS
  [FR] AGENTS DE MODULATION DU RÉCEPTEUR DU CALCIUM

  摘要：

  公开号：

  WO2009051718A3

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。
• CALCIUM RECEPTOR MODULATING AGENTS
  申请人：Coulter Thomas S.

  公开号：US20110178133A1

  公开（公告）日：2011-07-21

  The present invention relates generally to novel calcimimetic compounds and pharmaceutical compositions comprising them. The invention also relates to methods of treating of diseases or disorders related to the function of the calcium sensing receptor using the compounds represented in Formula I.

  本发明通常涉及新型钙敏感受体激动剂化合物及包含它们的制药组合物。本发明还涉及使用公式I中所代表的化合物治疗与钙感受受体功能相关的疾病或障碍的方法。
• [EN] CALCIUM RECEPTOR MODULATING AGENTS<br/>[FR] AGENTS DE MODULATION DU RÉCEPTEUR DU CALCIUM
  申请人：AMGEN INC

  公开号：WO2009051718A3

  公开（公告）日：2009-06-11
• US8334317B2
  申请人：——

  公开号：US8334317B2

  公开（公告）日：2012-12-18
• Discovery and Optimization of Substituted 1-(1-Phenyl-1<i>H</i>-pyrazol-3-yl)methanamines as Potent and Efficacious Type II Calcimimetics
  作者：Steve F. Poon、David J. St. Jean、Paul E. Harrington、Charles Henley、James Davis、Sean Morony、Fred D. Lott、Jeff D. Reagan、Jenny Ying-Lin Lu、Yuhua Yang、Christopher Fotsch

  DOI：10.1021/jm9012278

  日期：2009.11.12

  Our efforts to discover potent, orally bioavailable type II calcimimetic agents for the treatment of secondary hyperparathyroidism focused on the development of ring constrained analogues of the known calcimimetic R-568. The structure-activity relationships of various substituted heterocycles and their effects oil the human calcium-sensing receptor are discussed. Pyrazole 15 was shown to be efficacious in a rat in vivo pharmacodynamic model.