1-(4-nitrophenyl)-3-(pyridin-3-yl)urea | 13141-99-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(4-nitrophenyl)-3-(pyridin-3-yl)urea
• 英文别名: 1-(4-Nitrophenyl)-3-pyridin-3-ylurea
• CAS: 13141-99-6
• 化学式: C₁₂H₁₀N₄O₃
• 分子量: 258.236
• InChiKey: HLMCBZIVHLJMEE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  99.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  氯乙酸胆固醇 、 1-(4-nitrophenyl)-3-(pyridin-3-yl)urea 以 乙腈 为溶剂， 反应 72.0h， 生成
  参考文献：
  名称：

  Fluoride-responsive hydrogel of cholesterol appended pyridinium urea and its metal detecting ability and semi-conducting behaviour

  摘要：

  Cholesterol appended pyridinium urea 1 acts as low molecular weight gelator in DMSO:H2O (1:1, v/v) showing distinct colour change in the presence of aqueous solution of KF as well as tetrabutylammonium fluoride and recognises F- specifically. In addition, this hydrogel is noted to detect aqueous solution of Cu2+ and Pb2+ ions over a series of other metal ions and exhibits good semi-conducting property.

  DOI：

  10.1080/10610278.2013.831862
• 作为产物：
  描述：

  3-氨基吡啶 、 异氰酸对硝基苯 以 二氯甲烷 为溶剂， 反应 24.0h， 以95%的产率得到1-(4-nitrophenyl)-3-(pyridin-3-yl)urea
  参考文献：
  名称：

  一种具有阴离子识别功能的含脲基团铂吡啶基配合物及其制备方法

  摘要：

  本发明提供了一种具有阴离子识别功能的含脲基团铂吡啶基配合物及其制备方法。这种基于含脲基团铂吡啶基配合物的结构如式(4)所示。本发明的目标产物含脲基团铂吡啶基配合物使用双苯并咪唑苯基配体增加配合物的稳定性，同时利用脲基团作为阴离子的结合基团，脲基团中硝基的引入可使脲基团具有更强的阴离子结合能力，并且可以实现在二甲基亚砜溶液中对氟离子的裸眼检测。

  公开号：

  CN110590853B

文献信息

• 4-PHENOXY-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE AND N-ARYL-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES
  申请人：Bursavich Matthew Gregory

  公开号：US20100015141A1

  公开（公告）日：2010-01-21

  The invention relates to 4,6-disubstituted-1H-pyrazolo[3,4-d]pyrimidin-4-amine compounds, including 4-phenoxy-6-aryl-1H-pyrazolo[3,4-d]pyrimidine and N-aryl-6-aryl-1H-pyrazolo[3,4-d]pyrimidin-4-amine compounds of the Formula I: or a pharmaceutically acceptable salt thereof, wherein the constituent variables are as defined herein, compositions comprising the compounds, and methods for making and using the compounds.

  本发明涉及4,6-二取代-1H-吡唑[3,4-d]嘧啶-4-胺化合物，包括4-苯氧基-6-芳基-1H-吡唑[3,4-d]嘧啶和N-芳基-6-芳基-1H-吡唑[3,4-d]嘧啶-4-胺的化合物，其化学式为I： 或其药用可接受盐，其中组成变量如本文所述，包含该化合物的组合物，以及制造和使用这些化合物的方法。
• USE OF PYRIDINE UREA COMPOUND HAVING SNAIL-KILLING ACTIVITY
  申请人：THE NATIONAL INSTITUTE OF PARASITIC DISEASES, CHINESE CENTER FOR DISEASE CONTROL AND PREVENTION

  公开号：US20210022340A1

  公开（公告）日：2021-01-28

  The present invention relates to use of a pyridine urea compound having snail-killing activities, and relates to a method for preparing the pyridine urea compound. In particular, the present invention discloses a compound having the structure as shown in formula (I), an optical isomer thereof, a racemate thereof, a solvate thereof, or a pharmaceutically acceptable salt thereof, the compound having a significant killing effect on various snails as parasitic disease vectors and low toxicity to non-target organism fish.

  本发明涉及使用具有杀螺活性的吡啶脲化合物，并涉及制备该吡啶脲化合物的方法。具体而言，本发明揭示了具有如化学式（I）所示结构的化合物，其光学异构体、外消旋体、溶剂合物或药用可接受盐，该化合物对各种蜗牛作为寄生疾病传播媒介具有显著的杀灭效果，并对非靶标生物鱼类具有低毒性。
• Model studies on a synthetically facile series of N-substituted phenyl-N′-pyridin-3-yl ureas leading to 1-(3-pyridylcarbamoyl) indolines that are potent and selective 5-HT2C/2B receptor antagonists
  作者：Steven M. Bromidge、Steven Dabbs、David T. Davies、Susannah Davies、D.Malcolm Duckworth、Ian T. Forbes、Angela Gadre、Peter Ham、Graham E. Jones、Frank D. King、Damian V. Saunders、Kevin M. Thewlis、Deepa Vyas、Thomas P. Blackburn、Vicky Holland、Guy A. Kennett、Graham J. Riley、Martyn D. Wood

  DOI：10.1016/s0968-0896(99)00228-x

  日期：1999.12

  antagonists have been prepared by rapid parallel synthesis. These N-substituted phenyl-N'-pyridin-3-yl ureas were found to have a range of 5-HT2C receptor affinities and selectivities over the closely related 5-HT2A receptor. Extrapolation of simple SAR, derived from this set of compounds, to the more active but synthetically more complex 1-(3-pyridylcarbamoyl)indoline series allowed us to target optimal

  已经通过快速平行合成制备了一系列的5-HT 2C拮抗剂模型。发现这些N-取代的苯基-N'-吡啶-3-基脲比密切相关的5-HT2A受体具有一系列的5-HT2C受体亲和力和选择性。从这组化合物中衍生出的简单SAR外推至活性更高但合成上更复杂的1-（3-吡啶基氨基甲酰基）二氢吲哚系列，使我们能够靶向最佳取代模式并鉴定有效和选择性的5-HT（2C / 2B）拮抗剂。
• A comparative study of diaryl urea molecules with and without sulfonamide group on Carbonic anhydrase IX and XII inhibition and its consequence on breast cancer cells
  作者：Joy Debnath、Dhananjaya Keshamasetthy、Jacob Combs、Katherine Leon、Daniela Vullo、Abhijit Chatterjee、Robert McKenna、Claudiu T. Supuran

  DOI：10.1016/j.bioorg.2024.107192

  日期：2024.4
• [EN] 4-PHENOXY-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE AND N-ARYL-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES<br/>[FR] COMPOSÉS 4-PHÉNOXY-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE ET N-ARYL-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE-4-AMINE, LEUR UTILISATION COMME INHIBITEURS DE LA MTOR KINASE ET DE LA PI3 KINASE, ET LEURS SYNTHÈSES
  申请人：WYETH CORP

  公开号：WO2010011620A1

  公开（公告）日：2010-01-28

  The invention relates to 4,6-disubstituted-1H-pyrazolo[3,4-d]pyrimidin-4-amine compounds, including 4-phenoxy-6-aryl-1H-pyrazolo[3,4-d]pyrimidine and N-aryl-6-aryl-1H-pyrazolo[3,4-d]pyrimidin-4-amine compounds of the Formula (I) or a pharmaceutically acceptable salt thereof, wherein the constituent variables are as defined herein, compositions comprising the compounds, and methods for making and using the compounds.