(4-乙酰基苯基)脲 | 13143-02-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: (4-乙酰基苯基)脲
• 中文别名: N-(4-乙酰基苯基)脲
• 英文名称: N-(4-acetylphenyl)urea
• 英文别名: (4-Acetylphenyl)urea
• CAS: 13143-02-7
• 化学式: C₉H₁₀N₂O₂
• mdl: MFCD00031456
• 分子量: 178.191
• InChiKey: NOFYCZGGZKBMJN-UHFFFAOYSA-N

物化性质

• 沸点：
  329.7±25.0 °C(Predicted)
• 密度：
  1.261

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.111
• 拓扑面积：
  72.2
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2924299090

反应信息

• 作为反应物：
  描述：

  (4-乙酰基苯基)脲 在 potassium carbonate 作用下， 以 乙醇 、 水 为溶剂， 生成 1-(4-(1-(2-(2,4-difluorophenyl)-2-oxoethyl)-4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl)urea
  参考文献：
  名称：

  Optimization of Hydantoins as Potent Antimycobacterial Decaprenylphosphoryl-β-d-Ribose Oxidase (DprE1) Inhibitors

  摘要：

  In search of novel drugs against tuberculosis, we previously discovered and profiled a novel hydantoin-based family that demonstrated highly promising in vitro potency against Mycobacterium. tuberculosis. The compounds were found to be noncovalent inhibitors of DprE1, a subunit of decaprenylphosphoryl-beta-D-ribose-2'-epimerase. This protein, localized in the periplasmic space of the mycobacterial cell wall, was shown to be an essential and vulnerable antimycobacterial drug target. Here, we report the further SAR exploration of this chemical family through more than 80 new analogues. Among these, the most active representatives combined submicromolar cellular potency and nanomolar target affinity with balanced physicochemical properties and low human cytotoxicity. Moreover, we demonstrate in vivo activity in an acute Mtb infection model and provide further proof of DprE1 being the target of the hydantoins. Overall, the hydantoin family of DprE1 inhibitors represents a promising noncovalent lead series for the discovery of novel antituberculosis agents.

  DOI：

  10.1021/acs.jmedchem.0c00107
• 作为产物：
  描述：

  (4-乙酰基苯基)氰胺 在 甲酸 、 水 作用下， 以93 %的产率得到(4-乙酰基苯基)脲
  参考文献：
  名称：

  基于腺嘌呤的钯络合物：一种用于在水性介质中绿色合成尿素的高效多相磁性纳米催化剂

  摘要：

  通过制备 Fe 3 O 4磁性纳米粒子 (Fe 3 O 4 MNPs)、原硅酸四乙酯包覆、3-氯丙基三甲氧基硅烷 (CPTMS) 和腺嘌呤 (AD) 功能化，合成了一种新型腺嘌呤基钯纳米复合物配体并最终通过 PdCl 2 (Fe 3 O 4 @SiO 2 @CPTMS@AD@ Pd)形成相应的络合物。然后，采用 FT-IR、EDX、ICP、XRD、SEM、TEM、VSM 和 TGA-DTA 技术等不同方法对其进行了表征，并通过其作为高效非均相纳米材料的应用评估了基于腺嘌呤的 Pd 络合物的性能。合成各种N的催化剂- 在 98% HCOOH 存在下通过氨基氰水解在水中的单取代脲，在室温下在相对较短的反应时间内具有良好至高产率。

  DOI：

  10.1007/s13738-023-02813-x

文献信息

• Green synthesis, optical properties and catalytic activity of silver nanoparticles in the synthesis of N-monosubstituted ureas in water
  作者：Mahmoud Nasrollahzadeh、Ferydon Babaei、S. Mohammad Sajadi、Ali Ehsani

  DOI：10.1016/j.saa.2014.04.186

  日期：2014.11

  report the green synthesis of silver nanoparticles by using Euphorbia condylocarpa M. bieb root extract for the synthesis of N-monosubstituted ureas in water. UV-visible studies show the absorption band at 420 nm due to surface plasmon resonance (SPR) of the silver nanoparticles. This reveals the reduction of silver ions (Ag+) to silver (Ago) which indicates the formation of silver nanoparticles (Ag

  我们报告了绿色合成银纳米粒子通过使用大戟phorM。bieb根提取物在水中合成N-单取代尿素。紫外线可见的研究表明，由于银纳米颗粒的表面等离子体共振（SPR），在420 nm处的吸收带。这表明银离子（Ag +）还原为银（Ago），表明形成了银纳米颗粒（Ag NPs）。该方法具有收率高，方法简单，后处理容易的优点。
• [EN] QUINAZOLINONES DERIVATIVES FOR TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE, PREPARATION AND USE THEREOF<br/>[FR] DÉRIVÉS DE QUINAZOLINONES POUR LE TRAITEMENT DE LA STÉATOSE HÉPATIQUE NON ALCOOLIQUE, LEUR PRÉPARATION ET LEUR UTILISATION
  申请人：COUNCIL SCIENT IND RES

  公开号：WO2022003712A1

  公开（公告）日：2022-01-06

  The present invention described herein relates to a compound having Structure I for treating diseases and disorders for which inhibition or modulation of the Ubiquitin Ligase COP1 enzyme produces a physiologically beneficial response, in particular for the treatment of Non-Alcoholic Fatty Liver Disease (NAFLD). These compounds having Structure I arecapable of increasing the level of adipose triglyceride lipase (ATGL). Also provided is the process of preparing compounds having Structure I.

  本发明描述了一种具有结构I的化合物，用于治疗通过抑制或调节泛素连接酶COP1酶产生生理上有益反应的疾病和紊乱，特别是用于治疗非酒精性脂肪肝病（NAFLD）。这些具有结构I的化合物能够增加脂肪三酸甘油酯脂解酶（ATGL）的水平。还提供了制备具有结构I的化合物的方法。
• A quick and flexible synthetic approach to enureas (alkenyl ureas) via the Pd-catalyzed C–N coupling reaction of alkenyl tosylates and mesylates
  作者：Jignesh P. Dalvadi、Poojan K. Patel、Kishor H. Chikhalia

  DOI：10.1039/c3ra44195d

  日期：——

  As part of our persistent exploration to elucidate the chemistry of Pd-catalyzed C–N coupling, a catalyst system for the coupling reaction of alkenyl tosylates or mesylates with a variety of ureas has been developed. This catalyst system boasts outstanding functional group tolerance and enables the quick synthesis of the entire series of enurea analogs via Pd-catalyzed C–N coupling reactions in excellent yields.

  我们坚持不懈地探索 Pd 催化 CâN 偶联的化学性质，在此过程中，我们开发了一种催化剂体系，用于烯基甲苯磺酸盐或甲磺酸盐与多种脲的偶联反应。该催化剂体系具有出色的官能团耐受性，可通过 Pd 催化 CâN 偶联反应快速合成整个系列的脲类似物，且收率极高。
• Hybrid Pd/Fe3O4 nanowires: Fabrication, characterization, optical properties and application as magnetically reusable catalyst for the synthesis of N-monosubstituted ureas under ligand-free conditions
  作者：Mahmoud Nasrollahzadeh、Abbas Azarian、Ali Ehsani、S.Mohammad Sajadi、Ferydon Babaei

  DOI：10.1016/j.materresbull.2014.03.038

  日期：2014.7

  Abstract This paper reports the synthesis and use of Pd/Fe 3 O 4 nanowires, as magnetically separable catalysts for ligand-free amidation coupling reactions of aryl halides with benzylurea under microwave irradiation. Then, the in situ hydrogenolysis of the products was performed to afford the N -monosubstituted ureas from good to excellent yields. This method has the advantages of high yields, simple

  摘要 本文报道了Pd/Fe 3 O 4 纳米线的合成和应用，该纳米线作为磁性可分离催化剂，用于在微波辐射下芳基卤化物与苄脲的无配体酰胺化偶联反应。然后，进行产物的原位氢解以提供从良好到优异产率的N-单取代脲。该方法具有收率高、方法简单、易操作等优点。该催化剂可以通过使用磁铁回收并重复使用多次而不会显着降低其催化活性。使用粉末XRD、SEM、EDS和UV-vis光谱对催化剂进行表征。实验吸收光谱与甘斯理论的结果进行了比较。
• Antibacterial agents
  申请人：Thorarensen Atli

  公开号：US20050113450A1

  公开（公告）日：2005-05-26

  The present invention relates to antibacterial agents that are useful for sterilization, sanitation, antisepsis, and disinfection

  本发明涉及用于杀菌、卫生、消毒和消毒的抗菌剂。