1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-phenyl-urea | 51944-15-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-phenyl-urea
• 英文别名: N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-N'-phenyl-urea；N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-N'-phenyl-harnstoff；N-(1,5-dimethyl-3-oxo-2-diphenyl-2,3-dihydro-1H-pyrazol-4-yl)-N'-phenylurea；N¹-(Phenazon-4-yl)-N²-phenylharnstoff；1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-phenylurea；1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-phenylurea
• CAS: 51944-15-1
• 化学式: C₁₈H₁₈N₄O₂
• mdl: MFCD00247425
• 分子量: 322.367
• InChiKey: MHDYKXPQKDDFFZ-UHFFFAOYSA-N

物化性质

• 熔点：
  236 °C(Solv: ethanol (64-17-5); water (7732-18-5))
• 密度：
  1.31±0.1 g/cm3(Predicted)
• 溶解度：
  47.9 [ug/mL]

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  64.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-phenyl-urea 、 溴乙酸乙酯 在 四丁基溴化铵 、 potassium carbonate 作用下， 反应 48.0h， 以41%的产率得到1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-phenylimidazolidine-2,4-dione
  参考文献：
  名称：

  El-Metwally, Souad; Khalil, Ali Kh., Acta Chimica Slovenica, 2010, vol. 57, # 4, p. 941 - 947

  摘要：

  DOI：
• 作为产物：
  描述：

  4-氨基安替比林 、 异氰酸苯酯 以 苯 为溶剂， 生成 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-phenyl-urea
  参考文献：
  名称：

  El-Metwally, Souad; Khalil, Ali Kh., Acta Chimica Slovenica, 2010, vol. 57, # 4, p. 941 - 947

  摘要：

  DOI：

文献信息

• Novel ureido-and amido-pyrazolone derivatives
  申请人：Lattmann Eric

  公开号：US20070185115A1

  公开（公告）日：2007-08-09

  The present invention provides compounds of formula (I); wherein each of R 1 to R 4 is independently selected from hydrogen, a halogen, a substituted or unsubstituted cyclic and heterocyclic moiety, substituted or unsubstituted, linear or branched alkyl, alkyloxy, alkylcarbonyl, alkyloxycarbonyl, alkenyl, alkenyloxy, alkenylcarbonyl, alkenyloxycarbonyl, alkynyl, alkynyloxy, alkynylcarbonyl, alkynyloxycarbonyl, aryl, benzyl, arlyoxy, arylcarbonyl, aryloxycarbonyl and sulphur equivalents of said oxy, carbonyl and oxycarbonyl moieties, and A is NH, or (CH 2 ) n , where n is preferably 0, 1 or 2. The invention also relates to methods for preparing the compounds and their uses as CCK receptor ligands and CCK antagonists.

  本发明提供了式(I)的化合物；其中R1至R4中的每个独立地选择自氢、卤素、取代或未取代的环状和杂环状基团、取代或未取代的线性或支链烷基、烷氧基、烷基羰基、烷氧基羰基、烯基、烯氧基、烯基羰基、烯氧基羰基、炔基、炔氧基、炔基羰基、炔氧基羰基、芳基、苄基、芳氧基、芳基羰基、芳氧基羰基以及所述氧、羰基和氧羰基基团的硫等效物，且A为NH或(CH2)n，其中n最好为0、1或2。本发明还涉及制备该化合物的方法以及它们作为CCK受体配体和CCK拮抗剂的用途。
• Potent hFPRL1 (ALXR) agonists as potential anti-inflammatory agents
  作者：Roland W. Bürli、Han Xu、Xiaoming Zou、Kristine Muller、Jennifer Golden、Mike Frohn、Matthew Adlam、Matthew H. Plant、Min Wong、Michele McElvain、Kelly Regal、Vellarkad N. Viswanadhan、Philip Tagari、Randall Hungate

  DOI：10.1016/j.bmcl.2006.04.068

  日期：2006.7

  We report the discovery of potent agonists for the human formyl-peptide-like 1 receptor (hFPRL1). These compounds did not act at a closely related receptor denoted human formyl peptide receptor (hFPR) up to 10 mu M concentration. Recent studies have indicated that agonizing this receptor may promote resolution of inflammation. In an exploratory study, a novel hFPRL1 agonist showed efficacy in a mouse ear inflammation model following oral administration. (c) 2006 Elsevier Ltd. All rights reserved.
• Takahashi; Kanematsu, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1959, vol. 79, p. 172,175
  作者：Takahashi、Kanematsu

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  作者：FARGHALY A. M.

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  作者：Tamchyna、Bulik

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