3-[4-phenoxyphenyl]pyrazole | 111273-31-5

• 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-phenoxyphenyl]pyrazole
• 英文别名: 3-(4-phenoxy-phenyl)-1(2)H-pyrazole；3-(4-phenoxyphenyl)-1H-pyrazole；5-(4-phenoxyphenyl)-1H-pyrazole
• CAS: 111273-31-5
• 化学式: C₁₅H₁₂N₂O
• 分子量: 236.273
• InChiKey: SGQSMRQYEPPNIA-UHFFFAOYSA-N

物化性质

• 溶解度：
  2.4 [ug/mL]

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  18
• 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：
  2

反应信息

• 作为反应物：
  描述：

  sodium isocyanate 、 3-[4-phenoxyphenyl]pyrazole 在 溶剂黄146 作用下， 以 水 为溶剂， 反应 16.0h， 生成 3-(4-苯氧基-苯基)-吡唑-1-羧酸酰胺
  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：

  溴苯 在 2-吡啶甲酸 、 potassium phosphate 、 copper(l) iodide 、 盐酸肼 、 对甲苯磺酸 作用下， 以 乙醇 、 二甲基亚砜 为溶剂， 反应 78.0h， 生成 3-[4-phenoxyphenyl]pyrazole
  参考文献：
  名称：

  托烷衍生物的结构多样性衍生及杀线虫活性研究

  摘要：

  从 MDL 72222 及其类似物（已知的具有杀线虫活性的 5-HT 3受体拮抗剂）的结构出发，我们评估了多种托烷衍生物，其特征是引入多种五原子杂环作为酯的生物电子等排替代品这些5-HT 3受体拮抗剂的部分。测试了所有目标化合物对松材线虫和南方根结线虫的体外杀线虫活性。初步构效关系 (SAR) 研究表明，5-HT 3受体拮抗剂中的酯功能可以被噻唑部分（类似物5 ）取代，具有中等至良好的杀线虫活性。具体而言，化合物5bd对松材线虫表现出优异的杀线虫活性，LC 50/72 h为7.80mg/L，并且在40mg/L时对南方根结线虫表现出85%的死亡率。此外，对类似物5的逐步结构修饰导致发现了结构不同的化合物47b，该化合物具有先进的杀线虫活性，其针对松材线虫的LC 50/72 h为 5.96 mg/L 。

  DOI：

  10.1016/j.phytol.2024.01.003

文献信息

• [EN] PROCESS FOR THE PREPARATION OF 1-[(3R)-3-[4-AMINO-3-(4-PHENOXYPHENVL)-1H- PVRAZOLO[3,4-D]PYRINIIDIN-1-Y1]-1-PIPERIDINVL]-2-PROPEN-1-ONE AND ITS POLYMORPHS THEREOF<br/>[FR] PROCÉDÉ DE PRÉPARATION DE 1-[(3R)-3-[4-AMINO-3-(4-PHÉNOXYPHÉNYL)-1H- PYRAZOLO[3,4-D]PYRINIIDIN-1-Y1]-1-PIPÉRIDINYL]-2-PROPÈN-1-ONE ET DE SES POLYMORPHES
  申请人：MSN LABORATORIES PRIVATE LTD

  公开号：WO2016170545A1

  公开（公告）日：2016-10-27

  The present invention relates to an improved process for the preparation of 1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)- 1 H-pyrazolo[3,4-d]pyrimidin- 1 -yl]- 1 -piperidin yl]-2-propen-1-one compound of formula- 1 and its polymorphs thereof, which is represented by the following structural formula:

  本发明涉及一种改进的制备1-[(3R)-3-[4-氨基-3-(4-苯氧基苯基)-1H-吡唑并[3,4-d]嘧啶-1-基]-1-哌啶基]-2-丙烯-1-酮化合物及其多晶形式的方法，其由以下结构式表示：
• Aryl substituted pyrazoles, and pyrroles, and the use thereof
  申请人：Euro-Celtique S.A.

  公开号：US06414011B1

  公开（公告）日：2002-07-02

  This invention relates to compounds having the 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.

  这项发明涉及具有以下化学式I的化合物： 或其药学上可接受的盐、前药或溶剂化合物，其中Het和R5-R13在规范中设置。该发明还涉及化合物I的用途，用于治疗全脑和局部缺血后的神经损伤，用于治疗或预防神经退行性疾病，如肌萎缩侧索硬化症（ALS），以及用于治疗、预防或改善急性或慢性疼痛，作为抗耳鸣剂，作为抗癫痫药，作为抗躁郁药，作为局部麻醉药，作为抗心律失常药，以及用于治疗或预防糖尿病性神经病变。
• [EN] PYRAZOLOPYRIMIDINE DERIVATIVES AS TYROSINE KINASE INHIBITORS<br/>[FR] DÉRIVÉS DE PYRAZOLOPYRIMIDINE UTILISÉS COMME INHIBITEURS DE TYROSINE KINASE
  申请人：PRINCIPIA BIOPHARMA INC

  公开号：WO2012158795A1

  公开（公告）日：2012-11-22

  The present disclosure provides compounds and pharmaceutically acceptable salts that are tyrosine kinase inhibitors, in particular BLK, BMX, EGFR, HER2, HER4, ITK, Jak3, TEC, Btk, and TXK and are therefore useful for the treatment of diseases treatable by inhibition of tyrosine kinases such as cancer and inflammatory diseases such as arthritis, and the like. Also provided are pharmaceutical compositions containing such compounds and pharmaceutically acceptable salts and processes for preparing such compounds and pharmaceutically acceptable salts.

  本公开提供了一些酪氨酸激酶抑制剂及其药用盐，特别是BLK、BMX、EGFR、HER2、HER4、ITK、Jak3、TEC、Btk和TXK，因此适用于治疗通过抑制酪氨酸激酶可治疗的疾病，如癌症和炎症性疾病，如关节炎等。还提供了含有这些化合物和药用盐的药物组合物以及制备这些化合物和药用盐的方法。
• [EN] IMAGING NEURAL ACTIVITY<br/>[FR] ACTIVITÉ NEURALE D'IMAGERIE
  申请人：GE HEALTHCARE LTD

  公开号：WO2013131872A1

  公开（公告）日：2013-09-12

  The present invention provides a novel radiofluorinated compound for imaging voltage-gated sodium channels (VGSCs) that is more straightforward to synthesise than the known radiofluorinated phenoxyphenyl pyrazole carboxylic acid compounds. The compound of the present invention demonstrates specific uptake and retention in key tissues as well as good in vivo stability. Also provided by the present invention is a radiopharmaceutical composition comprising the radiofluorinated compound of the invention, precursor compounds and methods for the synthesis of said radiofluorinated compound, and methods for using said radiofluorinated compound.

  本发明提供了一种新型放射性氟化合物，用于成像电压门控钠通道（VGSCs），比已知的放射性氟代苯氧基苯基吡唑羧酸化合物更容易合成。本发明的化合物在关键组织中表现出特异性摄取和保留以及良好的体内稳定性。本发明还提供了一种放射性药物组合物，包括本发明的放射性氟化合物、前体化合物以及合成所述放射性氟化合物的方法和使用所述放射性氟化合物的方法。
• 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。