2-(4-(4-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-1-yl)phenyl)ethan-1-amine | 616878-90-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(4-(4-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-1-yl)phenyl)ethan-1-amine
• 英文别名: 2-[4-(4-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-1-yl)phenyl]ethylamine；2-[4-[4-(4-Fluorophenyl)-3,5-dimethylpyrazol-1-yl]phenyl]ethanamine
• CAS: 616878-90-1
• 化学式: C₁₉H₂₀FN₃
• 分子量: 309.386
• InChiKey: JLZFDNAXRGOPKT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  43.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(4-(4-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-1-yl)phenyl)ethan-1-amine 、 三氟乙酸 以 水 、 乙腈 为溶剂， 以10 mg的产率得到2-(4-(4-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-1-yl)phenyl)ethan-1-amine TFA salt
  参考文献：
  名称：

  Identification of Isoform 2 Acid-Sensing Ion Channel Inhibitors as Tool Compounds for Target Validation Studies in CNS

  摘要：

  Acid-sensing ion channels (ASICs) are a family of ion channels permeable to cations and largely responsible for the onset of acid-evoked ion currents both in neurons and in different types of cancer cells, thus representing a potential target for drug discovery. Owing to the limited attention ASIC2 has received so far, an exploratory program was initiated to identify ASIC2 inhibitors using diminazene, a known pan-ASIC inhibitor, as a chemical starting point for structural elaboration. The performed exploration enabled the identification of a novel series of ASIC2 inhibitors. In particular, compound 2u is a brain penetrant ASIC2 inhibitor endowed with an optimal pharmacokinetic profile. This compound may represent a useful tool to validate in animal models in vivo the role of ASIC2 in different neurodegenerative central nervous system pathologies.

  DOI：

  10.1021/acsmedchemlett.8b00591
• 作为产物：
  描述：

  3,5-二甲基-4-溴吡唑 在 甲醇 、 sodium tetrahydroborate 、 copper(l) iodide 、 四(三苯基膦)钯 、 sodium carbonate 、 potassium carbonate 、 L-脯氨酸 、 cobalt(II) chloride 作用下， 以 水 、 二甲基亚砜 、 N,N-二甲基甲酰胺 为溶剂， 反应 27.33h， 生成 2-(4-(4-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-1-yl)phenyl)ethan-1-amine
  参考文献：
  名称：

  Identification of Isoform 2 Acid-Sensing Ion Channel Inhibitors as Tool Compounds for Target Validation Studies in CNS

  摘要：

  Acid-sensing ion channels (ASICs) are a family of ion channels permeable to cations and largely responsible for the onset of acid-evoked ion currents both in neurons and in different types of cancer cells, thus representing a potential target for drug discovery. Owing to the limited attention ASIC2 has received so far, an exploratory program was initiated to identify ASIC2 inhibitors using diminazene, a known pan-ASIC inhibitor, as a chemical starting point for structural elaboration. The performed exploration enabled the identification of a novel series of ASIC2 inhibitors. In particular, compound 2u is a brain penetrant ASIC2 inhibitor endowed with an optimal pharmacokinetic profile. This compound may represent a useful tool to validate in animal models in vivo the role of ASIC2 in different neurodegenerative central nervous system pathologies.

  DOI：

  10.1021/acsmedchemlett.8b00591

文献信息

• Pyrazole compounds as anti-inflammatory and analgesic agents
  申请人：——

  公开号：US20040019045A1

  公开（公告）日：2004-01-29

  This invention provides a compound of the formula (I): 1 wherein: R 1 represents a hydrogen atom, an alkyl group, etc.; R 2 represents a hydrogen atom, a halogen atom, etc.; R 3 represents an alkyl group, etc.; R 4 represents an aryl group, etc.; A represents an aryl 1 , etc; B represents an alkylene etc.; X represents NH, etc.; or a pharmaceutically acceptable ester of such compound, and pharmaceutically acceptable salts thereof. These compounds are useful for the treatment of medical conditions mediated by prostaglandin such as pain, fever or inflammation, etc. This invention also provides a pharmaceutical composition comprising the above compound.

  这项发明提供了化合物的结构式(I)： 1 其中： R 1 代表氢原子、烷基等；R 2 代表氢原子、卤原子等；R 3 代表烷基等；R 4 代表芳基等； A代表芳基 1 等；B代表烷基等；X代表NH等； 或者该化合物的药学上可接受的酯，以及其药学上可接受的盐。 这些化合物对于治疗由前列腺素介导的医疗状况，如疼痛、发热或炎症等，具有用处。该发明还提供了包含上述化合物的药物组合物。
• US7001917B2
  申请人：——

  公开号：US7001917B2

  公开（公告）日：2006-02-21