1-[4-(三氟甲基)苯基]吡唑-4-胺 | 1251264-73-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 1-[4-(三氟甲基)苯基]吡唑-4-胺
• 英文名称: 1-(4-(trifluoromethyl)phenyl)-1H-pyrazol-4-amine
• 英文别名: 1-(4-trifluoromethyl-phenyl)-1H-pyrazol-4-ylamine；1-[4-(trifluoromethyl)phenyl]pyrazol-4-amine
• CAS: 1251264-73-9
• 化学式: C₁₀H₈F₃N₃
• mdl: MFCD16835994
• 分子量: 227.189
• InChiKey: DYELEHQSBJRAES-UHFFFAOYSA-N

物化性质

• 沸点：
  301.7±42.0 °C(Predicted)
• 密度：
  1.39±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  43.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-[4-(三氟甲基)苯基]吡唑-4-胺 在 decaborane 、 三氟乙酸 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 16.5h， 生成 4-(1-((1-(4-(trifluoromethyl)phenyl)-1H-pyrazol-4-yl)amino)butyl)benzoic acid
  参考文献：
  名称：

  A novel series of glucagon receptor antagonists with reduced molecular weight and lipophilicity

  摘要：

  A novel series of glucagon receptor antagonists has been discovered. These pyrazole ethers and aminopyrazoles have lower molecular weight and increased polarity such that the molecules fall into better drug-like property space. This work has culminated in compounds 44 and 50 that were shown to have good pharmacokinetic attributes in dog, in contrast to rats, in which clearance was high; and compound 49, which demonstrated a dose-dependent reduction in glucose excursion in a rat glucagon challenge experiment. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.10.113
• 作为产物：
  描述：

  4-氟三氟甲苯 在 N-溴代丁二酰亚胺(NBS) 、 [(2-di-tert-butylphosphino-3,6-dimethoxy-2‘,4’,6’-triisopropyl-1,1‘-biphenyl)-2-(2'-amino-1,1'-biphenyl)]palladium(II) methanesulfonate 、 potassium carbonate 、 caesium carbonate 作用下， 以 1,4-二氧六环 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 86.0h， 生成 1-[4-(三氟甲基)苯基]吡唑-4-胺
  参考文献：
  名称：

  WO2021012018A5

  摘要：

  公开号：

  WO2021012018A5

文献信息

• Spiroalkene carboxamide derivatives and their use as chemokine receptor modulators
  申请人：Ares Trading SA

  公开号：EP2508526A1

  公开（公告）日：2012-10-10

  The present invention is directed to compounds of Formula (I) below, which are antagonists to the chemoattractant cytokine receptor 2 (CCR2), and/or 5 (CCR5), pharmaceutical compositions, and methods for use thereof.

  本发明涉及以下式（I）的化合物，这些化合物是趋化因子细胞因子受体2（CCR2）和/或5（CCR5）的拮抗剂，以及其药物组合物和使用方法。
• [EN] SPIROALKENE CARBOXAMIDE DERIVATIVES AND THEIR USE AS CHEMOKINE RECEPTOR MODULATORS<br/>[FR] DÉRIVÉS DE SPIROALCÈNECARBOXAMIDE ET LEUR UTILISATION COMME MODULATEURS DE RÉCEPTEURS DE CHEMOKINES
  申请人：ARES TRADING SA

  公开号：WO2012130915A1

  公开（公告）日：2012-10-04

  The present invention is directed to compounds of Formula (I) below, which are antagonists to the chemoattractant cytokine receptor 2 (CCR2), and/or 5 (CCR5), pharmaceutical compositions, and methods for use thereof.

  本发明涉及以下式（I）的化合物，这些化合物是趋化因子细胞因子受体2（CCR2）和/或5（CCR5）的拮抗剂，以及其药物组合物和使用方法。
• INHIBITOR COMPOUNDS
  申请人：Cincera Therapeutics Pty Ltd

  公开号：US20220274970A1

  公开（公告）日：2022-09-01

  The disclosure relates to heterocyclic compounds and methods for their preparation. The disclosure provides compounds that may have beneficial therapeutic activity in the treatment of a disease or condition mediated by excessive or otherwise undesirable Des1 and/or fibrotic activity.
• [EN] INHIBITOR COMPOUNDS<br/>[FR] COMPOSÉS INHIBITEURS
  申请人：CINCERA THERAPEUTICS PTY LTD

  公开号：WO2021012018A1

  公开（公告）日：2021-01-28

  The disclosure relates to heterocyclic compounds and methods for their preparation. The disclosure provides compounds that may have beneficial therapeutic activity in the treatment of a disease or condition mediated by excessive or otherwise undesirable Des1 and/or fibrotic activity.