3-[4-(2,4-Difluorophenoxy)phenyl]-1H-pyrazole | 861213-56-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-[4-(2,4-Difluorophenoxy)phenyl]-1H-pyrazole
• 英文别名: 5-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazole
• CAS: 861213-56-1
• 化学式: C₁₅H₁₀F₂N₂O
• 分子量: 272.254
• InChiKey: HGZJSEMXMRLQHS-UHFFFAOYSA-N

物化性质

• 沸点：
  403.6±45.0 °C(Predicted)
• 密度：
  1.326±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  37.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  sodium isocyanate 、 3-[4-(2,4-Difluorophenoxy)phenyl]-1H-pyrazole 在 溶剂黄146 作用下， 以 水 为溶剂， 反应 16.0h， 生成 3-(4(2,4-difluorophenoxy)phenyl)-1H-pyrazole-1-carboxamide
  参考文献：
  名称：

  3-(4-Phenoxyphenyl)pyrazoles:  A Novel Class of Sodium Channel Blockers

  摘要：

  A series of 3-(4-phenoxyphenyl)-1H-pyrazoles were synthesized and characterized as potent state-dependent sodium channel blockers. A limited SAR study was carried out to delineate the chemical requirements for potency. The results indicate that the distal phenyl group is critical for activity but will tolerate lipophilic (+ pi) electronegative (+ sigma) substituents at the ortho and/or para position. Substitution at the pyrazole nitrogen with a H-bond donor improves potency. Compound 18 showed robust activity in the rat Chung neuropathy paradigm.

  DOI：

  10.1021/jm030498q
• 作为产物：
  描述：

  4-氟苯乙酮 在 potassium carbonate 、 一水合肼 作用下， 以 乙醇 、 N,N-二甲基乙酰胺 、 N,N-二甲基甲酰胺 为溶剂， 反应 33.5h， 生成 3-[4-(2,4-Difluorophenoxy)phenyl]-1H-pyrazole
  参考文献：
  名称：

  3-(4-Phenoxyphenyl)pyrazoles:  A Novel Class of Sodium Channel Blockers

  摘要：

  A series of 3-(4-phenoxyphenyl)-1H-pyrazoles were synthesized and characterized as potent state-dependent sodium channel blockers. A limited SAR study was carried out to delineate the chemical requirements for potency. The results indicate that the distal phenyl group is critical for activity but will tolerate lipophilic (+ pi) electronegative (+ sigma) substituents at the ortho and/or para position. Substitution at the pyrazole nitrogen with a H-bond donor improves potency. Compound 18 showed robust activity in the rat Chung neuropathy paradigm.

  DOI：

  10.1021/jm030498q

文献信息

• MEASUREMENT OF NEURAL ACTIVITY
  申请人：Arstad Erik

  公开号：US20100247435A1

  公开（公告）日：2010-09-30

  The present invention provides a method for determination of neural activity in a sample. The method of the invention is useful for the determination of neural activity in both in vivo and in vitro samples and is particularly useful in providing diagnostic information in subjects suspected to have a neurological condition that leads to disturbed neurological signalling. Also provided by the invention are compounds suitable for use in the method of the invention, and a pharmaceutical composition useful for carrying out the method of the invention.
• US6414011B1
  申请人：——

  公开号：US6414011B1

  公开（公告）日：2002-07-02
• US6737418B2
  申请人：——

  公开号：US6737418B2

  公开（公告）日：2004-05-18
• [EN] MEASUREMENT OF NEURAL ACTIVITY<br/>[FR] MESURE DE L'ACTIVITÉ NEURALE
  申请人：HAMMERSMITH IMANET LTD

  公开号：WO2008152109A1

  公开（公告）日：2008-12-18

  [EN] The present invention provides a method for determination of neural activity in a sample. The method of the invention is useful for the determination of neural activity in both in vivo and in vitro samples and is particularly useful in providing diagnostic information in subjects suspected to have a neurological condition that leads to disturbed neurological signalling. Also provided by the invention are compounds suitable for use in the method of the invention, and a pharmaceutical composition useful for carrying out the method of the invention.
  [FR] La présente invention concerne un procédé de détermination de l'activité neurale dans un échantillon. Le procédé selon l'invention se révèle utile pour la détermination de l'activité neurale tant dans des échantillons in vivo que des échantillons in vitro et il est particulièrement utile pour obtenir des informations diagnostiques chez des patients soupçonnés de souffrir d'une pathologie neurologique qui conduit à la perturbation de la signalisation neurologique. L'invention concerne également des composés appropriés pour servir dans le présent procédé, ainsi qu'une composition pharmaceutique utile pour la mise en oevre du procédé selon l'invention.
• 3-(4-Phenoxyphenyl)pyrazoles:  A Novel Class of Sodium Channel Blockers
  作者：Ji Yang、Parviz Gharagozloo、Jiangchao Yao、Victor I. Ilyin、Richard B. Carter、Phong Nguyen、Silvia Robledo、Richard M. Woodward、Derk J. Hogenkamp

  DOI：10.1021/jm030498q

  日期：2004.3.1

  A series of 3-(4-phenoxyphenyl)-1H-pyrazoles were synthesized and characterized as potent state-dependent sodium channel blockers. A limited SAR study was carried out to delineate the chemical requirements for potency. The results indicate that the distal phenyl group is critical for activity but will tolerate lipophilic (+ pi) electronegative (+ sigma) substituents at the ortho and/or para position. Substitution at the pyrazole nitrogen with a H-bond donor improves potency. Compound 18 showed robust activity in the rat Chung neuropathy paradigm.