4-fluoro-5-(4-trifluoromethyl-phenyl)-2H-pyrazol-3-ylamine | 1246384-93-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-fluoro-5-(4-trifluoromethyl-phenyl)-2H-pyrazol-3-ylamine
• 英文别名: 4-fluoro-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
• CAS: 1246384-93-9
• 化学式: C₁₀H₇F₄N₃
• 分子量: 245.179
• InChiKey: INBGYLHNIZRFLI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  17
• 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：
  54.7
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-Fluoro-3-oxo-3-[4-(trifluoromethyl)phenyl]propanenitrile 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 18.0h， 以490 mg的产率得到4-fluoro-5-(4-trifluoromethyl-phenyl)-2H-pyrazol-3-ylamine
  参考文献：
  名称：

  新型 4-氟-2H-吡唑-3-基胺的合成

  摘要：

  描述了一种用于制备新型 4-氟-2H-吡唑-3-基胺的新型有效合成方法。它涉及酰氯与氟乙腈的反应以及 α-氟-β-酮腈与肼的连续闭环反应。利用该合成方案，我们合成了各种具有不同空间和电子需求的 4-fluoro-2H-pyrazol-3-ylamines。

  DOI：

  10.1080/00397910903277912

文献信息

• Pharmacologically active aryl-substituted pyrazolo[1,5-a]pyrimidine derivatives
  申请人：RICHTER GEDEON NYRT.

  公开号：US10960007B2

  公开（公告）日：2021-03-30

  The present invention relates to new pyrazolo[1,5-a]pyrimidine derivatives of formula (I) or pharmaceutically acceptable salts, biologically active metabolites, pro-drugs, racemates, enantiomers, diastereomers, solvates and hydrates thereof that serve as GABAB receptor positive allosteric modulators. The invention also relates to the process for producing such compounds. The invention further relates to pharmaceutical compositions comprising such compounds optionally in combination with two or more different therapeutic agents and the use of such compounds in methods for treating diseases and conditions mediated and modulated by the GABAB receptor positive allosteric mechanism. The invention also provides a method for manufacture of medicaments useful in the treatment of such disorders.

  本发明涉及新的式（I）吡唑并[1,5-a]嘧啶衍生物或其药学上可接受的盐、生物活性代谢物、原药、外消旋体、对映体、非对映异构体、溶液和水合物，可作为 GABAB 受体正异位调节剂。本发明还涉及生产此类化合物的工艺。本发明进一步涉及包含此类化合物的药物组合物（可选择与两种或两种以上不同的治疗剂组合），以及此类化合物在治疗由 GABAB 受体正性异位调节机制介导和调节的疾病和病症的方法中的用途。本发明还提供了一种用于治疗此类疾病的药物的制造方法。
• Pharmacologically Active Aryl-Substituted Pyrazolo[1,5-a]Pyrimidine Derivatives
  申请人：RICHTER GEDEON NYRT.

  公开号：US20200061068A1

  公开（公告）日：2020-02-27

  The present invention relates to new pyrazolo[1,5-a]pyrimidine derivatives of formula (I) or pharmaceutically acceptable salts, biologically active metabolites, pro-drugs, racemates, enantiomers, diastereomers, solvates and hydrates thereof that serve as GABA B receptor positive allosteric modulators. The invention also relates to the process for producing such compounds. The invention further relates to pharmaceutical compositions comprising such compounds optionally in combination with two or more different therapeutic agents and the use of such compounds in methods for treating diseases and conditions mediated and modulated by the GABA B receptor positive allosteric mechanism. The invention also provides a method for manufacture of medicaments useful in the treatment of such disorders.