5-(2,6-二氟苯基)-1H-吡唑-3-胺 | 397844-80-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 5-(2,6-二氟苯基)-1H-吡唑-3-胺
• 英文名称: 5-(2,6-difluorophenyl)-2H-pyrazole-3-yl-amine
• 英文别名: 5-amino-3-(2,6-difluoro-phenyl)-pyrazole；5-(2,6-difluorophenyl)-1H-pyrazol-3-amine
• CAS: 397844-80-3
• 化学式: C₉H₇F₂N₃
• mdl: MFCD09933980
• 分子量: 195.171
• InChiKey: ZSASCCDXSUGHPD-UHFFFAOYSA-N

物化性质

• 熔点：
  128 °C
• 沸点：
  404.7±45.0 °C(Predicted)
• 密度：
  1.424±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  54.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-(2,6-二氟苯基)-1H-吡唑-3-胺 、 六氟乙酰丙酮 以 乙醇 为溶剂， 反应 3.0h， 以78%的产率得到2-(2,6-difluorophenyl)-5,7-bis-trifluoromethyl-pyrazolo[1,5-a]pyrimidine
  参考文献：
  名称：

  FACILE SYNTHESIS OF FLUORINATED 2-ARYL-5,7 BISALKYL PYRAZOLO PYRIMIDINES FROM ARYLALKYNE NITRILES†

  摘要：

  DOI：

  10.1515/hc.2006.12.3-4.275
• 作为产物：
  描述：

  2,6-二氟苯甲酰基乙腈 在 一水合肼 作用下， 以 乙醇 为溶剂， 以56%的产率得到5-(2,6-二氟苯基)-1H-吡唑-3-胺
  参考文献：
  名称：

  Pyrazole-thiazole compounds, pharmaceutical compositions containing them, and methods of their use for inhibiting cyclin-dependent kinases

  摘要：

  本文描述了调节和/或抑制细胞周期依赖性激酶活性的吡唑-噻唑化合物。这些化合物及其含有的制药组合物能够介导细胞周期依赖性疾病，以调节和/或抑制不必要的细胞增殖。本发明还涉及含有这种化合物的制药组合物的治疗或预防用途，以及通过给予有效量的这种化合物来治疗癌症以及与不必要的血管生成和/或细胞增殖有关的其他疾病状态，例如糖尿病视网膜病变、青光眼、类风湿性关节炎和银屑病的方法。

  公开号：

  US20020049215A1

文献信息

• PYRAZOLE-THIAZOLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND METHODS OF THEIR USE FOR INHIBITING CYCLIN-DEPENDENT KINASES
  申请人：Agouron Pharmaceuticals, Inc.

  公开号：EP1307462A2

  公开（公告）日：2003-05-07
• US6566363B2
  申请人：——

  公开号：US6566363B2

  公开（公告）日：2003-05-20
• [EN] PYRAZOLE-THIAZOLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND METHODS OF THEIR USE FOR INHIBITING CYCLIN-DEPENDENT KINASES<br/>[FR] COMPOSES PYRAZOLE-THIAZOLE, COMPOSITIONS PHARMACEUTIQUES LES CONTENANT, ET LEURS PROCEDES D'UTILISATION POUR INHIBER LES KINASES CYCLINO-DEPENDANTES
  申请人：AGOURON PHARMA

  公开号：WO2002012250A2

  公开（公告）日：2002-02-14

  Pyrazole-thiazole compounds that modulate and/or inhibit the activity of cyclin-dependent kinases are described. These compounds and pharmaceutical compositions containing them are capable of mediating cyclin-dependent diseases to modulate and/or inhibit unwanted cell proliferation. The invention is also directed to the therapeutic or prophylactic use of pharmaceutical compositions containing such compounds, and to methods of treating cancer as well as other disease states associated with unwanted angiogenesis and/or cellular proliferation, such as diabetic retinopathy, glaucoma, rheumatoid arthritis, and psoriasis, by administering effective amounts of such compounds.
• FACILE SYNTHESIS OF FLUORINATED 2-ARYL-5,7 BISALKYL PYRAZOLO PYRIMIDINES FROM ARYLALKYNE NITRILES†
  作者：V.V.V.N.S. Rama Rao、B.P.V. Lingaiah、G. Ezikiel、R. Yadla、P. Shanthan Rao

  DOI：10.1515/hc.2006.12.3-4.275

  日期：2006.1
• Pyrazole-thiazole compounds, pharmaceutical compositions containing them, and methods of their use for inhibiting cyclin-dependent kinases
  申请人：——

  公开号：US20020049215A1

  公开（公告）日：2002-04-25

  Pyrazole-thiazole compounds that modulate and/or inhibit the activity of cyclin-dependent kinases are described. These compounds and pharmaceutical compositions containing them are capable of mediating cyclin-dependent diseases to modulate and/or inhibit unwanted cell proliferation. The invention is also directed to the therapeutic or prophylactic use of pharmaceutical compositions containing such compounds, and to methods of treating cancer as well as other disease states associated with unwanted angiogenesis and/or cellular proliferation, such as diabetic retinopathy, glaucoma, rheumatoid arthritis, and psoriasis, by administering effective amounts of such compounds.

  本文描述了调节和/或抑制细胞周期依赖性激酶活性的吡唑-噻唑化合物。这些化合物及其含有的制药组合物能够介导细胞周期依赖性疾病，以调节和/或抑制不必要的细胞增殖。本发明还涉及含有这种化合物的制药组合物的治疗或预防用途，以及通过给予有效量的这种化合物来治疗癌症以及与不必要的血管生成和/或细胞增殖有关的其他疾病状态，例如糖尿病视网膜病变、青光眼、类风湿性关节炎和银屑病的方法。