5467-56-1Relevant articles and documents
Synthesis and molecular docking studies of novel pyrimidine derivatives as potential antibacterial agents
Bai, Xue-Qian,Li, Chun-Shi,Cui, Ming-Yue,Song, Ze-Wen,Zhou, Xing-Yu,Zhang, Chao,Zhao, Yang,Zhang, Tian-Yi,Jiang, Tie-Yan
, p. 1165 - 1176 (2019/12/11)
Abstract: The present work describes the in vitro antibacterial evaluation of some new pyrimidine derivatives. Twenty-two target compounds were designed, synthesized and preliminarily explored for their antimicrobial activities. The antimicrobial assay revealed that some target compounds exhibited significantly inhibitory efficiencies toward bacteria and fungal including drug-resistant pathogens. Compound 7c presented the most potent inhibitory activities against Gram-positive bacteria (e.g., Staphylococcus aureus 4220), Gram-negative bacteria (e.g., Escherichia coli 1924) and the fungus Candida albicans 7535, with an MIC of 2.4?μmol/L. Compound 7c was also the most potent, with MICs of 2.4 or 4.8?μmol/L against four multidrug-resistant, Gram-positive bacterial strains. The toxicity evaluation of the compounds 7c, 10a, 19d and 26b was assessed in human normal liver cells (L02 cells). Molecular docking simulation and analysis suggested that compound 7c has a good interaction with the active cavities of dihydrofolate reductase (DHFR). In vitro enzyme study implied that compound 7c also displayed DHFR inhibition. Graphic abstract: [Figure not available: see fulltext.]
Preparation method of micafungin derivative side chain intermediate
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Paragraph 0040-0041, (2020/02/14)
The invention provides a preparation method of a micafungin derivative side chain intermediate. The method is a preparation method of the micafungin derivative side chain intermediate, and the micafungin derivative side chain intermediate is prepared by directly taking monoterephthalate as a raw material. The process route is greatly shortened, toxic and high-pollution noble metal catalysts are prevented from being prepared and used, impurities difficult to remove are prevented from being generated due to excessive reaction, the process is simple, few equipment is occupied, operation is easy and convenient, and the method is suitable for industrial application.
Design, synthesis, biological evaluation and inhibition mechanism of 3-/4-alkoxy phenylethylidenethiosemicarbazides as new, potent and safe tyrosinase inhibitors
Liao, Bing,Mai, Yuliang,Shi, Huahong,Song, Senchuan,Wang, Fei
, p. 369 - 379 (2020/05/14)
Tyrosinase plays important roles in many different disease related processes, and the development of its inhibitors is particularly important in biotechnology. In this study, thirty-nine 3-/4-alkoxyphenylethyli-denethiosemicarbazides were synthesized as novel tyrosinase inhibitors based on structure-based molecular design. Our experimental results demonstrated that thirty-one of them possess remarkable tyrosinase inhibitory activities with IC50 value below 1μM, and 5a, 6e, 6g and 6t did not display any toxicity to 293T cell line at the concentration of 1000μmol/L. According to the inhibitory activities, several compounds were selected for detail investigation on the structure–activity relationships (SARs), mechanisms of enzyme inhibition, inhibitory kinetics and cytotoxicity. In particular, the interaction between the selected inhibitors and the active center of tyrosinase was considered and discussed in detail based on their structural characteristics. Taken together, the results presented here demonstrated that the newly designed compounds are promising candidates for the treatment of tyrosinase-related disorders and further development of them may have significant contribution in biomedical science.
Design, synthesis, docking studies and monoamine oxidase inhibition of a small library of 1-acetyl- and 1-thiocarbamoyl-3,5-diphenyl-4,5-dihydro-(1h)-pyrazoles
Guglielmi, Paolo,Carradori, Simone,Poli, Giulio,Secci, Daniela,Cirilli, Roberto,Rotondi, Giulia,Chimenti, Paola,Petzer, Anél,Petzer, Jacobus P.
, (2019/02/03)
New N-acetyl/N-thiocarbamoylpyrazoline derivatives were designed and synthesized in high yields to assess their inhibitory activity and selectivity against human monoamine oxidase A and B. The most important chiral compounds were separated into their single enantiomers and tested. The impact of the substituents at N1, C3 and C5 positions as well the influence of the configuration of the C5 on the biological activity were analyzed. Bulky aromatic groups at C5 were not tolerated. p-Prenyloxyaryl moiety at C3 oriented the selectivity toward the B isoform. The results were also corroborated by molecular modelling studies providing new suggestions for the synthesis of privileged structures to serve as lead compounds for the treatment of mood disorders and neurodegenerative diseases.
Synthesis and liquid crystalline properties of a new homologous series of 4,5-disubstituted 2H-[1,2,3]-triazoles via azide-chalcone oxidative cycloaddition reaction
Sowmya,Rai, K. M. Lokanatha
, p. 764 - 768 (2017/07/07)
A new homologous series of 4,5-disubstituted 2H-[1,2,3]-triazole derivatives were synthesized from chalcones and sodium azide via oxidative cycloaddition reaction; CuI was used as catalyst. Flexibility in the synthesized molecules was provided by attaching straight alkoxy chains. The synthesized compounds were characterized by elemental analysis, and 1HNMRand 13CNMRand LC-MS spectroscopies . The stability and range of the mesophases increased with the length of the chain on the triazoles. The melting point, transition temperatures, and enantiotropic liquid crystal morphologies were determined by differential scanning calorimetry (DSC) and polarizing optical microscopy (POM) equipped with a hot stage. Journal compilation
Mechanochromic luminescent difluoroboron beta-diketonates
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Page/Page column, (2015/07/15)
The invention provides luminescent solid-state compositions comprising difluoroboron beta-diketonates wherein the compositions can exhibit mechanochromic luminescence. The mechanochromic effect on the luminescence can be reversible, such as thermally reversible. Various solid-state forms of the invention can have emission spectra that differ from the properties of the respective difluoroboron beta-diketonate in solution. The mechanochromic effect can be stimulated by pressure such as handwriting, and can be reversed over a period of minutes to hours at room temperature. The invention also provides methods of making and methods of using the solid-state compositions, such as for sensors and for information displays for use in biological sensing, and in art, design, and consumer products. Compositions of the invention, such as compositions in nanoparticulate form, or contained within a matrix material, can be used in conjunction with fluorescence microscopy to provide information concerning pressures and tensions within and external to living cells, tissues, or organisms.
3-Carboxamido-5-aryl-isoxazoles as new CB2 agonists for the treatment of colitis
Tourteau, Aurélien,Andrzejak, Virginie,Body-Malapel, Mathilde,Lemaire, Lucas,Lemoine, Amélie,Mansouri, Roxane,Djouina, Madjid,Renault, Nicolas,El Bakali, Jamal,Desreumaux, Pierre,Muccioli, Giulio G.,Lambert, Didier M.,Chavatte, Philippe,Rigo, Beno?t,Leleu-Chavain, Natascha,Millet, Régis
, p. 5383 - 5394 (2013/09/02)
Recent investigations showed that anandamide, the main endogenous ligand of CB1 and CB2 cannabinoid receptors, possesses analgesic, antidepressant and anti-inflammatory effects. In the perspective to treat inflammatory bowel disease (IBD), our approach was to develop new selective CB2 receptor agonists without psychotropic side effects associated to CB1 receptors. In this purpose, a new series of 3-carboxamido-5- aryl-isoxazoles, never described previously as CB2 receptor agonists, was designed, synthesized and evaluated for their biological activity. The pharmacological results have identified great selective CB2 agonists with in vivo anti-inflammatory activity in a DSS-induced acute colitis mouse model.
Highly efficient synthesis of phenols by copper-catalyzed hydroxylation of aryl iodides, bromides, and chlorides
Yang, Kai,Li, Zheng,Wang, Zhaoyang,Yao, Zhiyi,Jiang, Sheng
, p. 4340 - 4343 (2011/10/08)
8-Hydroxyquinolin-N-oxide was found to be a very efficient ligand for the copper-catalyzed hydroxylation of aryl iodides, aryl bromides, or aryl chlorides under mild reaction conditions. This methodology provides a direct transformation of aryl halides to phenols and to alkyl aryl ethers. The inexpensive catalytic system showed great functional group tolerance and excellent selectivity.
Alkyl chain length effects on solid-state difluoroboron β-diketonate mechanochromic luminescence
Nguyen, Nguyen D.,Zhang, Guoqing,Lu, Jiwei,Sherman, Arianna E.,Fraser, Cassandra L.
supporting information, p. 8409 - 8415 (2013/01/11)
Solid-state difluoroboron β-diketonate dyes display reversible mechanochromic luminescence (ML). To test the effects of alkyl chain length on solid state photoluminescence and ML, a series of dyes, BF2dbmOR, with dibenzoylmethane (dbm) ligands and alkoxyl substituents (-OR) were prepared, where R = CnH2n+1 and n = 1, 2, 3, 5, 6, 12, 14, 16, 18. Emission properties were investigated in solution and in the solid state. Fluorescence spectra and lifetimes were nearly identical for dyes in CH2Cl2 solution; whereas, in the solid state, as powders, thin films or spin cast films, emission maxima, and lifetimes were different among the samples. Solid-state ML emission spectra were monitored at room temperature as a function of time for smeared powders on quartz surfaces. The recovery time generally increased with alkyl chain length, ranging from minutes (n = 3) to days (n = 18). Longer chain analogues (n = 6, 12, 14, 16, 18) did not fully return to the original annealed emissive state even after months on quartz, though the dynamics are substrate dependent. Solid-state dyes were also investigated by XRD and DSC (powders), and by AFM (spin cast films).
Lipopeptide Compounds and Their Use
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, (2011/10/04)
The present invention pertains generally to the field of therapeutic compounds, and more specifically to certain lipopeptide compounds comprising a cyclic peptide bearing a lipid side chain (for convenience, collectively referred to herein as “LP compounds”), which, inter alia, are antimicrobial, particularly antibacterial. The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to provide an antimicrobial function, particularly an antibacterial function, and in the treatment of diseases and conditions that are mediated by microbes, particularly bacteria, that are ameliorated by the antimicrobial function, particularly an antibacterial function, including bacterial diseases, optionally in combination with another agent, for example, another antibacterial agent.
