(+/-)-5-Methyl-3-phenyl-Δ²-pyrazolin | 939-04-8

• 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-Methyl-3-phenyl-Δ²-pyrazolin
• 英文别名: 5-methyl-3-phenyl-4,5-dihydro-1H-pyrazole
• CAS: 939-04-8
• 化学式: C₁₀H₁₂N₂
• 分子量: 160.219
• InChiKey: XPXDZDPMNBVOSL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  24.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (+/-)-5-Methyl-3-phenyl-Δ²-pyrazolin 、 碘甲烷 生成 alkaline earth salt of/the/ methylsulfuric acid
  参考文献：
  名称：

  v. Auwers; Heimke, Justus Liebigs Annalen der Chemie, 1927, vol. 458, p. 203

  摘要：

  DOI：
• 作为产物：
  描述：

  反式-1-苯基-2-丁烯-1-酮 在 一水合肼 作用下， 以 甲苯 为溶剂， 反应 21.0h， 生成 (+/-)-5-Methyl-3-phenyl-Δ²-pyrazolin
  参考文献：
  名称：

  Preparation, Antiepileptic Activity, and Cardiovascular Safety of Dihydropyrazoles as Brain-Penetrant T-Type Calcium Channel Blockers

  摘要：

  A series of dihydropyrazole derivatives was developed as potent, selective, and brain-penetrating T-type calcium channel blockers. An optimized derivative, compound 6c, was advanced to in vivo studies, where it demonstrated efficacy in the WAG/Rij rat model of generalized nonconvulsive, absence-like epilepsy. Compound 6c was not efficacious in the basolateral amygdala kindling rat model of temporal lobe epilepsy, and it led to prolongation of the PR interval in ECG recordings in rodents.

  DOI：

  10.1021/acs.jmedchem.6b00756

文献信息

• Azaindazoles useful as inhibitors of kinases
  申请人：Brenchley Guy

  公开号：US20070179177A1

  公开（公告）日：2007-08-02

  The present invention relates to compounds useful as inhibitors of protein kinase. The invention also provides pharmaceutically acceptable compositions comprising said compounds and methods of using the compositions in the treatment of various disease, conditions, or disorders. The invention also provides processes for preparing compounds of the inventions.

  本发明涉及用作蛋白激酶抑制剂的化合物。该发明还提供了包括所述化合物的药学上可接受的组合物，以及使用这些组合物治疗各种疾病、病况或障碍的方法。该发明还提供了制备该发明化合物的过程。
• AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES
  申请人：Brenchley Guy

  公开号：US20120165367A1

  公开（公告）日：2012-06-28

  The present invention relates to compounds useful as inhibitors of protein kinase. The invention also provides pharmaceutically acceptable compositions comprising said compounds and methods of using the compositions in the treatment of various disease, conditions, or disorders. The invention also provides processes for preparing compounds of the inventions.

  本发明涉及用作蛋白激酶抑制剂的化合物。本发明还提供了包括所述化合物的药学上可接受的组合物以及使用这些组合物治疗各种疾病、病况或障碍的方法。本发明还提供了用于制备本发明中化合物的过程。
• v. Auwers; Heimke, Justus Liebigs Annalen der Chemie, 1927, vol. 458, p. 209
  作者：v. Auwers、Heimke

  DOI：——

  日期：——
• Freudenberg; Stoll, Justus Liebigs Annalen der Chemie, 1924, vol. 440, p. 42
  作者：Freudenberg、Stoll

  DOI：——

  日期：——
• DOVGILEVICH A. V.; PINSON V. V.; TOROCHESHNIKOV V. N.; ZELENIN K. N.; SVI+, XIMIYA GETEROTSIKL. SOED.,(1987) N 7, 928-932
  作者：DOVGILEVICH A. V.、 PINSON V. V.、 TOROCHESHNIKOV V. N.、 ZELENIN K. N.、 SVI+

  DOI：——

  日期：——