3-phenyl-4,5-dihydro-1H-pyrazole | 936-48-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-phenyl-4,5-dihydro-1H-pyrazole
• 英文别名: 3-phenyl Δ²-pyrazoline；3-phenyl-4,5-dihydro-1H-pyrazole；3-Phenyl-4,5-dihydro-1H-pyrazol；3-phenyl-2-pyrazoline；3-Phenyl-Δ ²-pyrazolin；3-Phenyl-4,5-dihydropyrazol
• CAS: 936-48-1
• 化学式: C₉H₁₀N₂
• 分子量: 146.192
• InChiKey: AZPXELGXAFZFPC-UHFFFAOYSA-N

物化性质

• 熔点：
  45.8°C
• 沸点：
  255.81°C (rough estimate)
• 密度：
  1.0892

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 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：

  3-phenyl-4,5-dihydro-1H-pyrazole 在 tetrafluoroboric acid 作用下， 以 乙醚 、 二氯甲烷 、 水 为溶剂， 生成 2-Methyl-2-(5-phenyl-3,4-dihydropyrazol-2-yl)propanenitrile
  参考文献：
  名称：

  1-α-氰基烷基（芳烷基）-2-吡唑啉的合成及一些反应

  摘要：

  DOI：

  10.1007/s10593-005-0317-y
• 作为产物：
  描述：

  3-二甲基氨基-1-苯丙烷-1-酮 在 一水合肼 作用下， 生成 3-phenyl-4,5-dihydro-1H-pyrazole
  参考文献：
  名称：

  Kost; Erschow, Zhurnal Obshchei Khimii, 1957, vol. 27, p. 1072,1074; engl. Ausg. S. 1155, 1157

  摘要：

  DOI：

文献信息

• Inhibitors of protein tyrosine kinase activity
  申请人：Raeppel Stephane

  公开号：US20080004273A1

  公开（公告）日：2008-01-03

  This invention relates to compounds that inhibit protein tyrosine kinase activity. In particular the invention relates to compounds that inhibit the protein tyrosine kinase activity of growth factor receptors, resulting in the inhibition of receptor signaling, for example, the inhibition of VEGF receptor signaling and HGF receptor signaling. More particularly, the invention relates to compounds, compositions and methods for the inhibition of VEGF receptor signaling and HGF receptor signaling. The invention also provides compositions and methods for treating cell proliferative diseases and conditions.

  这项发明涉及抑制蛋白酪氨酸激酶活性的化合物。具体而言，该发明涉及抑制生长因子受体蛋白酪氨酸激酶活性的化合物，导致受体信号传导的抑制，例如抑制VEGF受体信号传导和HGF受体信号传导。更具体地，该发明涉及用于抑制VEGF受体信号传导和HGF受体信号传导的化合物、组合物和方法。该发明还提供了用于治疗细胞增殖性疾病和病况的组合物和方法。
• Mechanism of pyrazoline formation from the reactions of substituted hydrazines and Mannich bases
  作者：F. L. Scott、S. A. Houlihan、D. F. Fenton

  DOI：10.1039/j39710000080

  日期：——

  amidinohydrazone dinitrates. These substituted hydrazones do not display hydrazine anchimerism to form pyrazolines, probably because they exist in the wrong geometric form. The suggested mechanism for pyrazoline formation involves elimination from the Mannich base to form a vinyl ketone, which then forms a hydrazone (of the right configuration); subsequently this cyclises to the pyrazoline.

  与曼尼希碱氨基胍硝酸盐反应，ARCO·CH 2 ·CH 2 ·NME 2形成，这取决于pH值，二β酮基肼，1-脒基Δ 2个-pyrazolines，或amidinohydrazone dinitrates。这些取代的不显示肼嵌合现象而形成吡唑啉，可能是因为它们以错误的几何形式存在。建议的吡唑啉形成机理涉及从曼尼希碱中消除形成乙烯基酮，然后形成vinyl（构型正确）。随后，该环化成吡唑啉。
• Pyrazoline derivative or tetrahydropyridazine derivative and medicinal use thereof
  申请人：——

  公开号：US20030149046A1

  公开（公告）日：2003-08-07

  Using a compound selected from compounds represented by the following formula (1) 1 (which include 3-phenyl-2-pyrazoline derivatives and 3-phenyl-tetrahydropyridazine derivatives) and pharmacologically acceptable salts thereof, an agent is provided which can activate glutamic acid transporter and which is useful for prevention and/treatment of cerebral ischemia (cerebral infarct and brain edema), amyotrophic lateral sclerosis (ALS), etc., all caused by glutamic acid toxicity.

  使用以下公式（1）代表的化合物中选择的一种化合物（其中包括3-苯基-2-吡唑啉衍生物和3-苯基-四氢吡啶衍生物）及其药理学上可接受的盐，提供了一种可以激活谷氨酸转运蛋白并对由谷氨酸毒性引起的脑缺血（脑梗死和脑水肿）、肌萎缩侧索硬化症（ALS）等疾病进行预防和/或治疗的药剂。
• Synthesis and antiviral activity of novel 3-substituted pyrazolinium salts
  作者：Nikolai O. Vorozhtsov、Olga I. Yarovaya、Vitalii A. Roznyatovskii、Boris N. Tarasevich、Yuliya A. Kozlovskaya、Aneliya I. Petkova、Aleksander V. Slita、Ekaterina O. Sinegubova、Vladimir V. Zarubaev、Nariman F. Salakhutdinov、Elena K. Beloglazkina

  DOI：10.1007/s10593-021-02921-7

  日期：2021.4

  salts in individual form were proposed. Optimization of the conditions for the synthesis of the target products was carried out. The antiviral activity of the synthesized salts was studied; among the tested compounds 1-bornylidene-3-phenylpyrazolinium tetrafluoroborate (IC50 6.2 μM, SI 107) exhibited the greatest activity against influenza A/Puerto Rico/8/34 (H1N1) virus.

  首次方便地制备基于萜烯（樟脑，樟脑醌，香芹酮），笼型（金刚烷酮和降樟脑）酮和天然醛（香芹酮和Myrtenal）的吡唑啉N-亚烷基盐，从而可以分离出稳定的吡唑啉鎓提出了单独形式的盐。进行了目标产物合成条件的优化。研究了合成盐的抗病毒活性；在测试化合物中，四氟硼酸1-冰片烯-3-苯基吡唑啉鎓盐（IC 50 6.2μM ，SI 107）显示出对流感A /波多黎各/ 8/34 （H1N1）病毒的最大活性。
• [EN] HETEROCYCLIC THIOSEMICARBAZONE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS<br/>[FR] DÉRIVÉS DE THIOSEMICARBAZONE HÉTÉROCYCLIQUES ET LEURS APPLICATIONS THÉRAPEUTIQUES
  申请人：NANT HOLDINGS IP LLC

  公开号：WO2017024315A1

  公开（公告）日：2017-02-09

  Pharmaceutical compounds, compositions, and methods are presented in which various heterocyclic thiosemicarbazone derivatives are prepared. Contemplated compounds will be suitable to inhibit or reduce cellular growth or proliferation and are thus beneficial in the manufacture of drugs to treat neoplastic diseases.

  本文介绍了制备各种杂环硫脲类衍生物的药物化合物、组合物和方法。考虑到这些化合物适用于抑制或减少细胞生长或增殖，因此在制造用于治疗肿瘤性疾病的药物方面具有益处。