3-chloro-2-[5-[4-(phenylthio)phenyl]-1H-pyrazol-1-yl]-5-(trifluoromethyl)-pyridine | 321998-12-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 3-chloro-2-[5-[4-(phenylthio)phenyl]-1H-pyrazol-1-yl]-5-(trifluoromethyl)-pyridine
• 英文别名: 3-chloro-2-{5-[4-(phenylsulfanyl)phenyl]-1H-pyrazol-1-yl}-5-(trifluoromethyl)pyridine；3-chloro-2-[5-(4-phenylsulfanylphenyl)pyrazol-1-yl]-5-(trifluoromethyl)pyridine
• CAS: 321998-12-3
• 化学式: C₂₁H₁₃ClF₃N₃S
• 分子量: 431.869
• InChiKey: UIQPGJOKERPXRL-UHFFFAOYSA-N

物化性质

• 沸点：
  541.8±50.0 °C(Predicted)
• 密度：
  1.37±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  56
• 氢给体数：
  0
• 氢受体数：
  6

文献信息

• Aryl substituted pyrazoles, imidazoles, oxazoles, thiazoles and pyrroles, and the use thereof
  申请人：EURO-CELTIQUE S.A.

  公开号：US20030069292A1

  公开（公告）日：2003-04-10

  This invention relates to compounds having the Formula I: 1 or a pharmaceutically acceptable salt, prodrug or solvate thereof, wherein Het and R 5 -R 13 are set in the specification. The invention also is directed to the use of compounds of Formula I for the treatment of neuronal damage following global and focal ischemia, for the treatment or prevention of neurodegenerative conditions such as amyotrophic lateral sclerosis (ALS), and for the treatment, prevention or amelioration of both acute or chronic pain, as antitinnitus agents, as anticonvulsants, and as antimanic depressants, as local anesthetics, as antiarrhythmics and for the treatment or prevention of diabetic neuropathy.

  本发明涉及具有式I:1的化合物或其药学上可接受的盐、前药或溶剂，其中Het和R5-R13在规范中设定。本发明还涉及使用式I的化合物治疗全身和局部缺血后的神经损伤，治疗或预防神经退行性疾病，如肌萎缩侧索硬化症（ALS），以及治疗、预防或改善急性或慢性疼痛，作为抗耳鸣剂、抗癫痫药物、抗躁郁药物、局部麻醉剂、抗心律失常药物以及治疗或预防糖尿病神经病变的药物。
• Aryl-substituted pyrazoles, imidazoles, oxazoles, thiazoles and pyrroles as anticonvulsants
  申请人：EURO-CELTIQUE S.A.

  公开号：EP2266960A2

  公开（公告）日：2010-12-29

  Aryl Substituted Pyrazoles, Imidazoles, Oxazoles, Thiazoles and Pyrroles, and the Use Thereof This invention relates to compounds having formula (I) or a pharmaceutically acceptable salt, prodrug or solvate thereof, wherein Het and R5-R13 are set in the specification. The invention also is directed to the use of compounds of formula (I) for the treatment of neuronal damage following global and focal ischemia, for the treatment or prevention of neurodegenerative conditions such as amyotrophic lateral sclerosis (ALS), and for the treatment, prevention or amelioration of both acute or chronic pain, as antitinnitus agents, as anticonvulsants, and as antimanic depressants, as local anesthetics, as antiarrhythmics and for the treatment or prevention of diabetic neuropathy.

  芳基取代的吡唑、咪唑、噁唑、噻唑和吡咯及其用途 本发明涉及具有式（I）的化合物或其药学上可接受的盐、原药或溶液，其中 Het 和 R5-R13 在说明书中列出。本发明还涉及式（I）化合物在以下方面的用途：治疗全局性和局灶性缺血后的神经元损伤；治疗或预防神经退行性疾病，如肌萎缩性脊髓侧索硬化症（ALS）；治疗、预防或改善急性或慢性疼痛；抗耳鸣剂；抗惊厥剂；抗躁狂抑制剂；局部麻醉剂；抗心律失常剂；以及治疗或预防糖尿病神经病变。
• ARYL SUBSTITUTED PYRAZOLES, IMIDAZOLES, OXAZOLES, THIAZOLES AND PYRROLES, AND THE USE THEREOF
  申请人：Euro-Celtique S.A.

  公开号：EP1173169A1

  公开（公告）日：2002-01-23
• EP1173169A4
  申请人：——

  公开号：EP1173169A4

  公开（公告）日：2007-04-04
• US6414011B1
  申请人：——

  公开号：US6414011B1

  公开（公告）日：2002-07-02