2-[(1H-[1,2,4]triazol-3-ylimino)-methyl]-phenol | 24829-12-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2-[(1H-[1,2,4]triazol-3-ylimino)-methyl]-phenol
• 英文别名: 2-[(E)-(1H-1,2,4-Triazol-5-ylimino)methyl]phenol；2-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol
• CAS: 24829-12-7
• 化学式: C₉H₈N₄O
• 分子量: 188.189
• InChiKey: BKYHBHVZLQLDIP-BJMVGYQFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  14
• 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：
  74.2
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-[(1H-[1,2,4]triazol-3-ylimino)-methyl]-phenol 以 水 为溶剂， 生成 (6Z)-6-[(1H-1,2,4-triazol-5-ylamino)methylidene]cyclohexa-2,4-dien-1-one
  参考文献：
  名称：

  Photoluminescence and labelling for microcrack bone of N-salicylidene-3-amino-1,2,4-triazole

  摘要：

  A new Schiff base of N-salicylidene-3-amino-1,2,4-triazole (SAT) was synthesized and its photoluminescent, photochromic and thermochromic properties were characterized and demonstrated. The fluorescence lifetime and quantum yield of SAT were measured and the microcrack bone imaging using SAT as a fluorescent label was observed by laser scanning confocal microscope (LSCM). The absorption spectrum of SAT was demonstrated using DFF/TD-DFT calculation. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2014.10.121
• 作为产物：
  描述：

  3-氨基-1,2,4-三氮唑 、 水杨醛 以 甲醇 为溶剂， 反应 32.0h， 以3.7 g的产率得到2-[(1H-[1,2,4]triazol-3-ylimino)-methyl]-phenol
  参考文献：
  名称：

  A Novel Ruthenium Based Coordination Compound Against Pathogenic Bacteria

  摘要：

  当前抗生素耐药感染的流行促使我们开发替代效果较差的抗生素。为评估抗菌潜力，使用钌-席夫碱-苯并咪唑配体合成了一种新型协同化合物（RU-S4），其中钌氯被用作中心原子。RU-S4通过扫描电子显微镜（SEM）、能谱X射线光谱（EDS）和拉曼光谱进行了表征。对抗金黄色葡萄球菌（NCTC 8511）、耐万古霉素金黄色葡萄球菌（VRSA）（CCM 1767）、耐甲氧西林金黄色葡萄球菌（MRSA）（ST239: SCCmecIIIA）和医院分离的表皮葡萄球菌进行了RU-S4的抗菌活性研究。通过生长曲线分析检测了RU-S4的抗菌活性，并通过光学显微镜成像和荧光活/死细胞成像支持了结果。使用VRSA（CCM 1767）制备的体内（小鼠）感染模型并用RU-S4处理。在我们的实验条件下，所有感染的小鼠都被治愈。通过冷冻扫描电子显微镜（Cryo-SEM）进一步确认了协同化合物与细菌细胞的相互作用。RU-S4对哺乳动物细胞和小鼠完全无毒，并随后用合成的RU-S4进行治疗。

  DOI：

  10.3390/ijms21072656

文献信息

• A Facile Synthesis of Fused Phosphorus-Heterocycle with Bioactivity via Lawesson's Reagent
  作者：Liangnian He、Yanping Luo、Kai Li、Guangfu Yang、Mingwu Ding、Xiaopeng Liu、Tianjie Wu

  DOI：10.1080/10426500214565

  日期：2002.11.1

  A convenient one-pot synthesis of fused phosphorus-heterocycles with biological activity via the cyclization reactions of Lawesson's reagent with bifunctional substrates is reported.

  报道了通过劳森试剂与双功能底物的环化反应，方便地一锅合成具有生物活性的稠合磷杂环。
• Spectral, thermal and biological characterization of complexes with a Schiff base bearing triazole moiety as potential antimicrobial species
  作者：Larisa Calu、Mihaela Badea、Nataša Čelan Korošin、Mariana Carmen Chifiriuc、Coralia Bleotu、Nicolae Stanică、Luigi Silvestro、Martin Maurer、Rodica Olar

  DOI：10.1007/s10973-018-7871-x

  日期：2018.12

  consistent with hexa-coordination of Co(II) and Ni(II) and penta-coordination for Cu(II) ions in complexes. The simultaneous TG-DSC/MS measurements evidenced processes as water (hydration or coordination) elimination, perchlorate decomposition as well as Schiff base both fragmentation and oxidative degradation. The in vitro screening of the antimicrobial behaviour on Gram-positive and Gram-negative bacteria

  一系列新的配合物ML（ClO 4）·nH 2合成了O（M：Co，Ni，Cu，Zn； HL：2-[（E）-（1H-1,2,4-三唑-3-ylimino）甲基]苯酚），并将其表征为单核物质。配合物的特征已从微观分析，FAB-MS，IR，UV-Vis-NIR，EPR和磁数据中得出。红外光谱表明席夫碱和高氯酸盐的螯合行为是游离离子还是配体。电子和磁数据与Co（II）和Ni（II）的六配位以及络合物中Cu（II）离子的五配位相一致。TG-DSC / MS的同时测量证明了水（水合或配位）消除，高氯酸盐分解以及席夫碱裂解和氧化降解的过程。体外筛选革兰氏阳性和革兰氏阴性细菌以及真菌菌株的抗菌行为，表明Cu（II）和Zn（II）配合物对浮游细胞或粘附细胞均具有良好的活性。此外，Cu（II）配合物还对HT 29细胞系表现出有希望的抗增殖活性。
• METHOD FOR IDENTIFYING TARGET PROTEIN OF AGENT AND METHOD FOR SCREENING THERAPEUTIC AGENT FOR DIABETES USING TARGET PROTEIN
  申请人：Astellas Pharma Inc.

  公开号：EP1860438A1

  公开（公告）日：2007-11-28

  A method for identifying a target protein of a compound having a pharmacological action by detecting a tertiary structural change of a target protein by binding a compound having a pharmacological action to a target protein with the use of a molecular chaperone protein having a characteristic of binding to a protein by recognizing a tertiary structural change of the protein is disclosed. Further, a method for screening a therapeutic agent for diabetes using a target protein of biguanide which is a therapeutic agent for diabetes and was found by the identification method, a screening tool which can be used in the screening method and a pharmaceutical composition for treating diabetes containing a substance obtained by the screening method are disclosed.

  本发明公开了一种通过检测具有药理作用的化合物与靶蛋白结合后靶蛋白的三级结构变化来识别具有药理作用的化合物的靶蛋白的方法，该方法使用的分子伴侣蛋白具有通过识别蛋白的三级结构变化与蛋白结合的特性。此外，还公开了一种利用通过识别方法发现的糖尿病治疗剂双胍的靶蛋白筛选糖尿病治疗剂的方法、一种可用于该筛选方法的筛选工具以及一种含有通过该筛选方法获得的物质的治疗糖尿病的药物组合物。
• Method for identifying target protein of drug and method for screening therapeutic agent for diabetes using the target protein.
  申请人：Astellas Pharma Inc.

  公开号：EP2124062A1

  公开（公告）日：2009-11-25

  A method for identifying a target protein of a compound having a pharmacological action by detecting a tertiary structural change of a target protein by binding a compound having a pharmacological action to a target protein with the use of a molecular chaperone protein having a characteristic of binding to a protein by recognizing a tertiary structural change of the protein is disclosed. Further, a method for screening a therapeutic agent for diabetes using a target protein of biguanide which is a therapeutic agent for diabetes and was found by the identification method, a screening tool which can be used in the screening method and a pharmaceutical composition for treating diabetes containing a substance obtained by the screening method are disclosed.

  本发明公开了一种通过检测具有药理作用的化合物与靶蛋白结合后靶蛋白的三级结构变化来识别具有药理作用的化合物的靶蛋白的方法，该方法使用的分子伴侣蛋白具有通过识别蛋白的三级结构变化与蛋白结合的特性。此外，还公开了一种利用通过识别方法发现的糖尿病治疗剂双胍的靶蛋白筛选糖尿病治疗剂的方法、一种可用于该筛选方法的筛选工具以及一种含有通过该筛选方法获得的物质的治疗糖尿病的药物组合物。
• Spectroscopic and conductometric studies on someSchiff bases
  作者：M. M. Ayad、I. A. Mansour

  DOI：10.1007/bf00813200

  日期：1995.4

  The electronic absorption spectra of some Schiff bases derived from 3-amino-1,2,4-triazole have been investigated in organic solvents of different polarities. Assignment of the absorption bands, solvent effects, and spectral structure correlations are considered. The fundamental IR bands and the main signals in the H-1 NMR spectra are assigned and discussed with respect to the effect of substituents on the phenyl ring. A change of the electrical conductance of the compounds with increasing temperature is observed for the solid samples.