Synthesis,Structure, and Biological Activity of 4-R-4-Oxo-2-[2-(phenylamino)benzoyl]hydrazinylidene- N -hetarylbutanamides

Decyclization of N′-[5-R-2-oxofuran-3(2H)-ylidene]-2-(phenylamino)benzohydrazides under the action of heterocyclic amines leads to the formation of N-hetaryl-4-R-4-oxo-2-[2-(phenylamino)benzoyl]hydrazinylidenebutanamides. Antinociceptive and anti-inflammatory activity of the obtained compounds was studied.     

Synthesis,Intramolecular Cyclization,and Analgesic Activity of Substituted 2-[2-(Furancarbonyl)hydrazinylydene]-4-oxobutanoic Acids

Russian Journal of General Chemistry - A method was proposed for the synthesis of substituted 2-[2-(furan-2-carbonyl)hydrazinylidene]-4-oxobutanoic acids by the reaction of...     

Synthesis,Intramolecular Cyclization,and Antinociceptive Activity of Substituted 2-[2-(4-Nitrobenzoyl)hydrazinylidene]-4-oxobut-2-enoic Acids

Russian Journal of Organic Chemistry - New substituted 2-[2-(4-nitrobenzoyl)hydrazinylidene]-4-oxobut-2-enoic acids have been synthe­sized by condensation of 4-nitrobenzohydrazide with...     

有机锡4-(4-吡啶基甲基硫代)苯甲酸酯的合成、结构与生物活性研究

通过4-（4-吡啶基甲基硫代）苯甲酸与三苯基氧化锡以及三环己基氢氧化锡反应,合成了三苯基锡4-（4-吡啶基甲基硫代）苯甲酸酯（1）及三环己基锡4-（4-吡啶基甲基硫代）苯甲酸酯（2）。它们的结构通过红外,核磁以及X-射线单晶衍射分析得到确证。化合物1表现为一维链状结构,而化合物2通过分子间的O-H…O和O-H…N氢键形成二维网状结构。生物活性测试表明,这2个化合物具有较高的抗肿瘤活性。     

有机锡4-(4-吡啶基甲基硫代)苯甲酸酯的合成、结构与生物活性研究(英文)

通过4-(4-吡啶基甲基硫代)苯甲酸与三苯基氧化锡以及三环己基氢氧化锡反应,合成了三苯基锡4-(4-吡啶基甲基硫代)苯甲酸酯(1)及三环己基锡4-(4-吡啶基甲基硫代)苯甲酸酯(2)。它们的结构通过红外,核磁以及X-射线单晶衍射分析得到确证。化合物1表现为一维链状结构,而化合物2通过分子间的O-H…O和O-H…N氢键形成二维网状结构。生物活性测试表明,这2个化合物具有较高的抗肿瘤活性。     

2-(4-Oxo-3,4-dihydro-2-quinazolinylmethyl)benzoic Acids

Condensation of 2-cyanomethylbenzoic acid with anthranilic acids gave a series of 2-(4-oxo-3,4-dihydro-2-quinazolinylmethyl)benzoic acids which are structural analogs of the alkaloid glycosminine (2-benzyl-1,2-dihydro-4-quinazolone).     

Synthesis,Crystal Structure and Biological Activity of 1-(4-(4-Ethoxybenzyl)piperazin-1-yl)-2-(2-methylphenoxy)ethanone

One novel phenoxyacetamide derivative(C_(22)H_(28)N_2O_3, Mr = 368.47) has been synthesized and determined by means of NMR spectroscopy, high resolution mass spectra and single-crystal X-ray diffraction. The single crystal belongs to the monoclinic system, space group Cc with a = 14.910(3), b = 14.592(3), c = 38.683(8) ?, β = 100.37(3)°, V = 8279(3) ?3, Z = 16, Dc = 1.183 g/cm3, F(000) = 3168, μ = 0.079 mm-1, Mo Kα radiation(λ = 0.71073 ?), the final R = 0.0508 and wR = 0.0666 for 4120 observed reflections with I 2σ(I). There are four independent molecules in an asymmetric unit cell. The four symmetry-independent molecules have a variety of different conformations indicating considerable conformational freedom. The bioassay results indicated that the title compound displayed effective activities against glutamine-induced neurotoxicity in PC12 cells and significantly prolonged the survival time of mice subjected to acute cerebral ischemia.     

Synthesis,Crystal Structure,Hirshfeld Surface Analysis and Biological Activity of 1-(Bis(4-methoxyphenyl)-methyl)-4-(2-(2-methylphenoxy)ethyl)piperazine

In this study, a novel phenoxyethylamine derivative 1-(bis(4-methoxy phenyl)-methyl)-4-(2-(2-methylphenoxy)ethyl)piperazine(C28 H35 N2 O3, Mr = 454.58) has been synthesized and its structure was characterized by 1 H NMR, 13 C NMR, HRMS and single-crystal X-ray diffraction. The compound crystallizes in triclinic system, space group P1 with a = 6.1980(12),b = 12.212(2), c = 19.527(4) ?, α = 93.08(3)°, β = 98.62(3)°, γ = 90.72(3)°, V = 1458.9(5) ?3, Z =2, Dc = 1.035 g/cm3, F(000) = 489, μ = 0.067 mm-1, Mo Kα radiation(λ = 0.71073 ?), the final R= 0.0693 and wR = 0.1759 for 3030 observed reflections with I 2σ(I). The bioassay results indicated that the title compound 5 displayed effective activities against glutamine-induced neurotoxicity in PC12 cells.     

Synthesis, Crystal Structure, and Biological Activities of 2-Oxo-2-aryl-1 - （ 1,2,4-triazol-1 -yl ） ethyl phenylcarbamodithioate

IntroductionAs an important type of fungicide, compoundscontaining 1,2,4-triazole groups have attracted muchattention because they exhibit a certain fungicidal acti-vity againstPuccinia reconditeand also play a role inroot-growth regulation[1—3]. However…     

Synthesis,Crystal Structure and Biological Activity of(E)-3-Chloro-2-(2-(2-methylbenzylidene)-hydrazinyl)pyridine

The novel Schiff base(E)-3-chloro-2-(2-(2-methylbenzylidene)hydrazinyl)pyridine was synthesized and characterized by ~1H NMR, MS, elemental analysis and X-ray diffraction. The compound crystallizes in monoclinic space group Pbca with a = 14.6638(3), b = 7.7522(2), c = 20.3850(4) ?, V = 2317.30(9) ?~3, Z = 8, R = 0.063 and w R = 0.1922. The title compound exhibits good antifungal activity against Stemphylium lycopersici(Enjoji) Yamamoto and Fusarium oxysporum sp. cucumebrium.     

2-（4-叔丁基苯氧甲基）-3-喹啉酸的闭环和去叔丁基反应

2-（4-叔丁基苯氧甲基）-3-喹啉酸（1a—1d）,在多聚磷酸（PPA）的作用下发生分子内的闭环反应和脱叔丁基反应,得到了不含有叔丁基的苯并杂卓并喹啉酮化合物（2a-2c）。它们的结构通过红外光谱、核磁共振氢谱、质谱和元素分析得以证实。     

3-Methyl-2-(phenylsulfonamido)butanoic Acid and Its Metal Complexes: Synthesis,Crystal Structure,Antimicrobial, and Enzyme Inhibition Activity

Russian Journal of General Chemistry - In this study sulfonamide ligand, 3-methyl-2-(phenylsulfonamido)butanoic acid, has been synthesized and introduced in complexation with metals Cu, Zn, Fe, Ni,...     

Synthesis,Crystal Structure and Biological Activity of 2-(3,4-Dichloroisothiazol-5-yl)-4-(trifluoromethyl)-4,5-dihydrothiazol-4-yl-3-methylbenzoate

The title compound diethyl 2-(3,4-dichloroisothiazol-5-yl)-4-(trifluoromethyl)-4,5-dihydrothiazol-4-yl-3-methylbenzoate(C15H9Cl2F3N2O2S2, Mr = 441.26) was prepared from methyl 3,4-dichloroisothiazole-5-carboxylate as the starting material by four steps of reaction. Its structure was characterized by IR, 1H-NMR, 13C-NMR, EA and single-crystal X-ray diffraction. The crystal of the title compound belongs to the monoclinic system, space group P21/c with a = 8.8437(18), b = 16.128(3), c = 12.305(3), β = 91.68(3)o, V = 1754.4(6) 3, Z = 4, Dc = 1.671 g/cm3, μ(Mo Ka) = 0.71073 mm-1, F(000) = 888, R = 0.0384 and w R = 0.0778. Weak π-π interactions occur between the isothiazole rings and phenyl rings of adjacent molecules to form a one-dimensional chain and stabilize the crystal structure. Bioassay indicates that the title compound has good activity against the fungi and TMV tested.     

5-芳甲氧基-3(2H)-哒嗪酮衍生物的设计、合成与生物活性

为寻找新型昆虫生长调节活性化合物, 设计合成了15个未见文献报道的5-芳甲氧基取代的3(2H)-哒嗪酮衍生物, 所有化合物结构均通过¹H NMR, IR和元素分析确证. 初步生物活性研究表明, 化合物8o对2龄家蝇幼虫有明显的抑制作用; 化合物8a, 8c, 8g和8j对3龄蝗蝻显示出较好的生物活性. 对目标化合物的构效关系亦进行了初步探讨.     

N-[5-(4-三氟甲基苯基)-1,3,4-噻二唑-2-基]-N′-芳酰基脲的合成、结构及其生物活性

通过2-氨基-5-(4-三氟甲基苯基)-1,3,4-噻二唑与芳酰基异氰酸酯反应,合成了14种新的芳酰基脲,它们的结构用红外光谱、核磁共振氢谱和元素分析进行了表征,并且采用X射线单晶衍射分析方法测定了化合物2l的结构.初步的生物活性试验表明,部分标题化合物具有优良的植物生长调节活性.     

Synthesis,Crystal Structure and Biological Activity of N-(2-hydroxy-3-(4-(2-methoxyphenyl)-piperazin-1-yl)propyl)quinoxaline-2-methanamide

The title compound N-(2-hydroxy-3-(4-(2-methoxyphenyl)piperazin-1-yl)propyl)-quinoxaline-2-methanamide(4, C23H27N5O3, Mr = 421.50) was synthesized via a four-step reaction and characterized by 1H NMR, 13 C NMR, ESIMS and single-crystal X-ray diffraction. The crystal is of monoclinic, space group P21/n with a = 12.108(2), b = 12.639(3), c = 14.601(3) , β = 104.87(3)o, V = 2159.6(8) 3, Z = 4, Dc = 1.296 g/cm3, S = 1.023, μ = 0.088 mm-1, F(000) = 896, R = 0.0392 and w R = 0.0983 for 2836 observed reflections with I 2σ(I). The single-crystal X-ray structural analysis reveals that 4 is stabilized by intramolecular and intermolecular hydrogen bonds together with π-π interactions. The bioassay showed that 4 exhibited high selective activity for α1A/D vs. α1B-adrenoceptors subtype.     

N-苄氧/烷氧苯基-4,6-二取代嘧啶胺类化合物的合成、晶体结构及除草活性

以5种苄氧基/烷氧基苯胺为基础, 设计合成了系列新颖的N-苄氧/烷氧苯基-4,6-二取代嘧啶胺类化合物, 其结构经1H NMR、MS及元素分析确证, 其中化合物5r的单晶结构经X射线单晶衍射分析确证. 油菜平皿法和稗草小杯法测试除草活性结果表明, 4种苄氧基/烷氧基苯胺3a, 3b, 3d, 3e具有较好的除草活性, 在100 μg/mL浓度下对单子叶稗草生长抑制率可达到77.3%—88.5%. KARI活性测试结果表明, 化合物5a—5s有较弱的KARI抑制活性.     

Synthesis,Characterization,Biological and Docking Simulations of 4-(Benzylideneamino) Benzoic Acids

The present research paper presents the synthesis, characterization, biological and computational studies of 4-(benzylideneamino) benzoic acid derivatives(3a~3g). Derivatives 3a~3c displayed best antidiabetic potential with a glucose-lowering effect compared to the reference drug Glibenclamide. Biochemical parameters including plasma glucose, serum triglycerides, cholesterol, alanine amino transferase and aspartate amino transferase levels showed significant alterations in concentrations relative to the control. Similarly, the derivatives 3a, 3d and 3e displayed potent in vitro antibacterial potential. Molecular docking simulations delineated that the ligands and complexes were stabilized at the active site by electrostatic and hydrophobic forces, consistent with the corresponding experimental results. In silico study of the binding pattern predicted that the synthesized ligands, 3d and 3a could serve as a potential surrogate for hit-to-lead generation and the design of novel antibacterial drugs.     

Synthesis,Structure and Biological Activity of 3-Methyl-4-(3-nitrobenzylideneamino)-5-ethoxycarbonyl-methylsulfanyl-1,2,4-triazole

A Schiff base was synthesized by 3-methyl-4-amino-5-ethoxycarbonyl-methylsulfanyl-1,2,4-triazole with 3-nitrobenzaldehyde. The structure was confirmed by 1H NMR, IR, H RMS, TGA techniques and X-ray diffraction. The crystal belongs to monoclinic system, space group P21/c, with a = 8.965(2), b = 21.903(5), c = 9.197(2) A, β = 114.011(4)°, C14H15N5O4 S, Mr = 349.08, V = 1649.7(6) A3, Dc = 1.407 g·cm-3, Z = 4, F(000) = 728, μ = 0.226 mm-1, the final R = 0.0574 and wR = 0.1336 for 2932 unique reflections with I 2σ(I). Furthermore, the biological activity to four vegetable pathogens has been tested. The title compound exhibits better biological activity to four vegetable pathogens compared to the Schiff base without 5-ethoxycarbonyl and to Gibberlla saubinetti in EC95 compared with triadimefon.