1,4,5-三甲基-2-苯基吡唑-3-酮 | 5677-84-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 1,4,5-三甲基-2-苯基吡唑-3-酮
• 英文名称: 1,4,5-trimethyl-2-phenyl-1,2-dihydro-pyrazol-3-one
• 英文别名: 4-Methyl-antipyrin；3-Pyrazolin-5-one, 1-phenyl-2,3,4-trimethyl-；1,4,5-trimethyl-2-phenylpyrazol-3-one
• CAS: 5677-84-9
• 化学式: C₁₂H₁₄N₂O
• 分子量: 202.256
• InChiKey: QICABJKBSHCINA-UHFFFAOYSA-N

物化性质

• 熔点：
  83 °C
• 沸点：
  220 °C(Press: 18 Torr)
• 密度：
  1.0435 g/cm3(Temp: 68.8 °C)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  23.6
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2933199090

反应信息

• 作为反应物：
  描述：

  1,4,5-三甲基-2-苯基吡唑-3-酮 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 四氯化碳 为溶剂， 反应 0.33h， 以85%的产率得到3-Bromomethyl-2,4-dimethyl-1-phenyl-3-pyrazolin-5-on
  参考文献：
  名称：

  WO2006/71730

  摘要：

  公开号：
• 作为产物：
  描述：

  3,4-二甲基-1-苯基-1H-吡唑-5(4h)-酮 以5%的产率得到
  参考文献：
  名称：

  Dehmlow Eckehard V., Klauck Robert, J. Chem. Res. Synop, (1994) N 11, S 448-449

  摘要：

  DOI：

文献信息

• THIAZOLIDINONE COMPOUNDS AND USE THEREOF
  申请人：National Health Research Institutes

  公开号：US20170253569A1

  公开（公告）日：2017-09-07

  A pharmaceutical composition containing a compound of Formula (I) for treating an opioid receptor-associated condition. Also disclosed is a method for treating an opioid receptor-associated condition using such a compound. Further disclosed are two sets of thiazolidinone compounds of formula (I): (i) compounds each having an enantiomeric excess greater than 90% and (ii) compounds each being substituted with deuterium.

  一种含有化合物（I）的药物组合物，用于治疗与阿片受体相关的疾病。还公开了一种使用这种化合物治疗阿片受体相关疾病的方法。进一步公开了两组式（I）的噻唑烷酮化合物：（i）每种化合物的对映体过量大于90%；（ii）每种化合物被氘取代。
• [EN] PYRAZOLO[3,4-b]PYRIDINE COMPOUNDS AS INHIBITORS OF TAM AND MET KINASES<br/>[FR] COMPOSÉS PYRAZOLO[3,4-B]PYRIDINE UTILISÉS EN TANT QU'INHIBITEURS DE KINASES TAM ET MET
  申请人：ARRAY BIOPHARMA INC

  公开号：WO2020047184A1

  公开（公告）日：2020-03-05

  Provided herein are compounds of the Formula (I): and stereoisomers, tautomers and pharmaceutically acceptable salts thereof, wherein R1, R2, R9, X1 and G are as defined herein, which are inhibitors of one or more TAM kinases and/or c-Met kinase, and are useful in the treatment and prevention of diseases which can be treated with a TAM kinase inhibitor and/or a c-Met kinase inhibitor.

  本文提供了Formula (I)的化合物及其立体异构体、互变异构体和药学上可接受的盐，其中R1、R2、R9、X1和G如本文所定义，它们是一种或多种TAM激酶和/或c-Met激酶的抑制剂，并且在治疗和预防可以用TAM激酶抑制剂和/或c-Met激酶抑制剂治疗的疾病中非常有用。
• PHARMACEUTICAL COMPOSITION COMPRISING PYRAZOLONE DERIVATIVE
  申请人：Genecare Research Institute Co., Ltd

  公开号：EP1900728A1

  公开（公告）日：2008-03-19

  The present invention relates to pharmaceutical compositions containing a compound represented by formula (I), or a pharmaceutically acceptable prodrug or salt thereof, or a hydrate or solvate thereof as an active ingredient, (wherein, R1, R2, R3, and R4 are the same as R1, R2, R3, and R4 in the description of the present invention).

  本发明涉及含有由式(I)所代表的化合物、其药用可接受的前药或盐、或其水合物或溶剂和作为活性成分的药物组合物（其中，R1、R2、R3和R4与本发明描述中的R1、R2、R3和R4相同）。
• [EN] INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME<br/>[FR] INHIBITEURS DU COMPLEXE D'ACTIVATION DE TRANSCRIPTION DU RÉCEPTEUR NOTCH ET PROCÉDÉS D'UTILISATION DE CES DERNIERS
  申请人：UNIV MIAMI

  公开号：WO2016154255A1

  公开（公告）日：2016-09-29

  Disclosed herein are inhibitors of the Notch transcriptional activation complex, and methods for their use in treating or preventing diseases, such as cancer. The inhibitors described herein can include compounds of Formula (I) and pharmaceutically acceptable salts thereof: Formula (I), wherein the substituents are as described.

  本文披露了Notch转录激活复合物的抑制剂，以及它们在治疗或预防疾病（如癌症）中的使用方法。本文描述的抑制剂可以包括式（I）的化合物及其药用可接受盐：式（I），其中取代基如所述。
• Adsorption Study of Some Sulphanilic Azo Dyes on Charcoal
  作者：H. J. Mohammed、B. J. Kadhim、Aseel Sh. Mohammed

  DOI：10.1155/2011/487287

  日期：——

  Studies on the removal of two dyes (sulphanilic azo antipyrine and sulphanilic azo imidazole) from aqueous solution by adsorption on charcoal as an adsorbent were carried out. A series of experiments were under taken in a batch adsorption technique to access the effect of the process variablesi.e. contact time, initial dye concentration, initial pH, adsorbent dose and temperature. Adsorbent dosage (0.1 g) higher value for both dyes. The equilibrium in the solution was observed within (35 min) of two sulphanilic dyes on charcoal. The equilibrium isotherms for both dyes were determined to describe the adsorption process. The results showed that the equilibrium data was fitted by of the Freundlich isotherms on charcoal surface. The result obtained shows that the adsorption isotherm for both dyes on charcoal was according to Giles classification. The thermodynamic factors such as ∆Η, ∆G and ∆S were calculated.

  研究了在炭作为吸附剂的条件下从水溶液中去除两种染料（磺胺偶氮抗吡啶和磺胺偶氮咪唑）的研究进行了。进行了一系列批量吸附技术实验，以评估过程变量的影响，即接触时间、初始染料浓度、初始pH、吸附剂用量和温度。吸附剂用量（0.1克）对两种染料都有较高的值。在炭上，两种磺胺染料的平衡在溶液中观察到（35分钟）内达到。确定了两种染料的平衡等温线以描述吸附过程。结果表明，平衡数据符合炭表面的Freundlich等温线。所得结果表明，两种染料在炭上的吸附等温线符合Giles分类。计算了热力学因素，如∆Η、∆G和∆S。