5-(3-Methoxyphenyl)-1-methyl-3-phenylpyrazole | 72218-34-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-(3-Methoxyphenyl)-1-methyl-3-phenylpyrazole
• CAS: 72218-34-9
• 化学式: C₁₇H₁₆N₂O
• 分子量: 264.327
• InChiKey: QPEYDGNMFWHPRP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  27
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  5-(3-methoxyphenyl)-1-methyl-3-phenyl-4,5-dihydro-1H-pyrazole 在 palladium on activated charcoal 溶剂黄146 作用下， 反应 6.0h， 以52%的产率得到5-(3-Methoxyphenyl)-1-methyl-3-phenylpyrazole
  参考文献：
  名称：

  Aryl azoles with neuroprotective activity—Parallel synthesis and attempts at target identification

  摘要：

  A parallel synthesis of aryl azoles with neuroprotective activity is described. All compounds obtained were evaluated in an in vitro assay using a NMDA toxicity paradigm showing a neuroprotective activity between 15% and 40%. The potential biological target of the active compounds was investigated by extensive literature searches based around similar scaffolds with reported neuroprotective activity. The most interesting molecules active in the NMDA toxicity assay (3a and 2g) showed moderate but significant activity in the inhibition of the Site 2 Sodium Channel binding assay at 10 mu M. To confirm our hypothesis compounds 3a, c, f and 2g were tested in the Veratridine assay which is one of the excitotoxicity assays of revelance to NaV channels. The compounds tested showed an activity between 40% and 70%. The identification of neuroprotective small molecules and the identification of NaV channels as the potential site of action were the most important goals of this work. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2007.10.090

文献信息

• HETEROCYCLIC INHIBITORS OF MCT4
  申请人：Vettore, LLC

  公开号：US20180162822A1

  公开（公告）日：2018-06-14

  Disclosed herein are compounds and compositions useful in the treatment of MCT4 mediated diseases, such as proliferative and inflammatory diseases, having the structure of Formula I: Methods of inhibition MCT4 activity in a human or animal subject are also provided.

  本文披露了一些化合物和组合物，适用于治疗由MCT4介导的疾病，如增殖性和炎症性疾病，其结构如下所示： 还提供了在人类或动物主体中抑制MCT4活性的方法。