N-(5-氧代-1-苯基-4H-吡唑-3-基)苯甲酰胺 | 2144-96-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: N-(5-氧代-1-苯基-4H-吡唑-3-基)苯甲酰胺
• 英文名称: N-(5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)-benzamide
• 英文别名: 5-benzoylamino-2-phenyl-2,4-dihydro-pyrazol-3-one；1-Phenyl-3-benzamido-pyrazolone-5；1-Phenyl-3-benzamido-5-pyrazolon；N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)benzamide
• CAS: 2144-96-9
• 化学式: C₁₆H₁₃N₃O₂
• 分子量: 279.298
• InChiKey: SJWZAQBUFIDJQO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  61.8
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933199090

反应信息

• 作为反应物：
  描述：

  N-(5-氧代-1-苯基-4H-吡唑-3-基)苯甲酰胺 、 2-巯基苯并噻唑 以78%的产率得到
  参考文献：
  名称：

  GOLTSEV A. N.; DYUZHEVA I. I.; SOLOVEVA I. A., SB. NAUCH. TR. BCEC. N.-I. I PROEKT. IN-T XIM.-FOTOGR. PROM-STI, 1980, HO+

  摘要：

  DOI：
• 作为产物：
  描述：

  3-氨基-1-苯基-2-吡唑啉-5-酮 、 苯甲酰氯 以 1,4-二氧六环 为溶剂， 反应 3.5h， 以15%的产率得到N-(5-氧代-1-苯基-4H-吡唑-3-基)苯甲酰胺
  参考文献：
  名称：

  新系列的抗pr病毒化合物：吡唑啉酮衍生物具有抑制蛋白酶抗性病毒蛋白质积累的有效活性。

  摘要：

  为了找到有效的抗pr病毒化合物，我们合成并评估了各种吡唑啉酮衍生物。19种化合物中的7种显示出对PrP-res积累的抑制作用，而显着活性的化合物13在ScN2a和F3细胞系中的IC50值为3 nM。从理化和生物化学性质的研究发现表明，这些化合物的作用机理与任何抗氧化剂活性，任何羟基自由基清除活性或任何SOD样活性均不相关。

  DOI：

  10.1021/jm070688r

文献信息

• Non-linear optically active molecules, their synthesis, and use
  申请人：McGinniss D. Vincent

  公开号：US20080004415A1

  公开（公告）日：2008-01-03

  In one aspect, the present invention provides a hyperpolarizable organic chromophore. The chromophore is a nonlinear optically active compound that includes a π-donor conjugated to a π-acceptor through a π-electron conjugated bridge. In other aspects of the invention, donor structures and acceptor structures are provided. In another aspect of the invention, a chromophore-containing polymer is provided. In one embodiment, the chromophore is physically incorporated into the polymer to provide a composite. In another embodiment, the chromophore is covalently bonded to the polymer, either as a side chain polymer or through crosslinking into the polymer. In other aspects, the present invention also provides a method for making the chromophore, a method for making the chromophore-containing polymer, and methods for using the chromophore and chromophore-containing polymer.

  在一个方面，本发明提供了一种高极化有机色团。该色团是一种非线性光学活性化合物，包括一个π-给体通过一个π-电子共轭桥连接到一个π-受体上。在本发明的其他方面，提供了给体结构和受体结构。在发明的另一个方面，提供了含有色团的聚合物。在一种实施例中，色团被物理地并入聚合物中以提供复合材料。在另一种实施例中，色团通过侧链聚合物或交联到聚合物中与聚合物共价键合。在其他方面，本发明还提供了制备色团的方法、制备含有色团的聚合物的方法以及使用色团和含有色团的聚合物的方法。
• Synthesis and biological evaluation of a new class of acyl derivatives of 3-amino-1-phenyl-4,5-dihydro-1H-pyrazol-5-one as potential dual cyclooxygenase (COX-1 and COX-2) and human lipoxygenase (5-LOX) inhibitors
  作者：Claudia Cusan、Giampiero Spalluto、Maurizio Prato、Michael Adams、Antje Bodensieck、Rudolf Bauer、Aurelia Tubaro、Paolo Bernardi、Tatiana Da Ros

  DOI：10.1016/j.farmac.2004.12.009

  日期：2005.4

  A series of acyl derivatives of 3-amino-1-phenyl-4,5-dihydro-1H-pyrazol-5-one as potential human 5-LOX and COX 1 and COX-2 inhibitors structurally related to the 1-phenyl-3-pyrazolidinone (phenidone, 1) have been synthesized and the activity against COX-1, COX-2 and human 5-LOX enzymes has been evaluated. All the derivatives showed poor activity against enzymes. These data, together with our previous studies, indicated that phenidone and related compounds are not suitable as human 5-LOX inhibitors and that pyrazoline nucleus should not be considered a good scaffold for inhibitors of human 5-LOX enzyme, suggesting the necessity to revisit the proposed mechanism of action of phenidone (1) in human models.
• Synthesis and purification of 3-N-acylaminopyrazolinones using a sequence of functionalized polymers
  作者：Jiasheng Fu、Stephen J. Shuttleworth

  DOI：10.1016/s0040-4039(03)00738-x

  日期：2003.5

  A parallel synthesis route to 3-acylaminopyrazolinones using a sequence of functionalized polymers has been developed. The polymers were utilized as both stoichiometric reagents and purification agents to allow for the clean formation of the desired target compounds. (C) 2003 Elsevier Science Ltd. All rights reserved.
• GOLTSEV N. A.; LEVKOEV I. I.; SOLOVEVA I. A., SB. NAUCH. TR. BCEC. N.-I. I PROEKT. IN-T XIM.-FOTOGR. PROM-STI, 1977, HO+
  作者：GOLTSEV N. A.、 LEVKOEV I. I.、 SOLOVEVA I. A.

  DOI：——

  日期：——
• Non-linear opticaly active molecules, their synthesis, and use
  申请人：McGinniss Vincent D.

  公开号：US20120059163A1

  公开（公告）日：2012-03-08

  In one aspect, the present invention provides a hyperpolarizable organic chromophore. The chromophore is a nonlinear optically active compound that includes a π-donor conjugated to a π-acceptor through a π-electron conjugated bridge. In other aspects of the invention, donor structures and acceptor structures are provided. In another aspect of the invention, a chromophore-containing polymer is provided. In one embodiment, the chromophore is physically incorporated into the polymer to provide a composite. In another embodiment, the chromophore is covalently bonded to the polymer, either as a side chain polymer or through crosslinking into the polymer. In other aspects, the present invention also provides a method for making the chromophore, a method for making the chromophore-containing polymer, and methods for using the chromophore and chromophore-containing polymer.