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Organoantimony Compounds: [2,4,6-(MeO)3C6H2]3Sb and {[2,4,6-(MeO)3C6H2]3SbCH2C(O)OEt}I·СHCl3·0.5Н2О: Synthesis and Structure 有机锑化合物:[2,4,6-(MeO)3C6H2]3Sb and {[2,4,6-(MeO)3C6H2]3SbCH2C(O)OEt}I·СHCl3·0.5Н2О:合成与结构
IF 0.9 4区 化学 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-10-29 DOI: 10.1134/S107036322409010X
I. V. Egorova, I. N. Nesina, V. V. Zhidkov, N. A. Rodionova, I. P. Grinishak

By reacting antimony(III) chloride with 2,4,6-trimethoxyphenyllithium, tris(2,4,6-trimethoxyphenyl)stibine was synthesized and the possibility of its alkylation with ethyliodoacetate was established to form {[2,4,6-(MeO)3C6H2]3SbCH2C(O)OEt}I·СHCl3·0.5Н2О. Antimony atoms in the Ar3Sb molecule and the [Ar3SbCH2C(O)OEt]+ cation, Ar = 2,4,6-(MeO)3C6H2 have distorted trigonal pyramidal [angle CSbC 101.97(4)°] and tetrahedral [angle CSbC 104.5(2)°‒113.6(2)°] coordination, respectively. The structure of the stibonium complex is additionally stabilized by intermolecular interactions, which involve water molecules (I···H 2.815, 2.881 Å) and chloroform C=O···Cl (3.141 Å), I···H (2.793 Å).

通过氯化锑(III)与 2,4,6-三甲氧基苯基锂的反应,合成了三(2,4,6-三甲氧基苯基)锡啶,并确定了其与碘乙酸乙酯发生烷基化反应生成{[2,4,6-(MeO)3C6H2]3SbCH2C(O)OEt}I-СHCl3-0.5Н2О的可能性。Ar3Sb 分子和[Ar3SbCH2C(O)OEt]+阳离子(Ar = 2,4,6-(MeO)3C6H2 )中的锑原子分别具有扭曲的三叉金字塔配位[角度 CSbC 101.97(4)°]和四面体配位[角度 CSbC 104.5(2)°-113.6(2)°]。锶配合物的结构还受到分子间相互作用的稳定,其中涉及水分子(I--H 2.815、2.881 Å)和氯仿 C=O-Cl (3.141 Å), I-H (2.793 Å)。
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引用次数: 0
Structural Analysis of Hydrothermal Assisted Growth of High-Qualities CdSe Nano-Powders for Efficient Radiation Detection 用于高效辐射探测的水热法辅助生长高质量碲化镉纳米粉体的结构分析
IF 0.9 4区 化学 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-10-29 DOI: 10.1134/S1070363224090172
H. Bouchareb, B. Rahal, B. Boudine, Y. Larbah, Z. Medadjelia, H. Arroudj, Y. Bouachiba, A. Taabouche, A. Mammeri, H. Brahimi

The nanostructured powders of cadmium selenide semiconductor were prepared hydrothermally using two synthesis protocols, after which they were annealed at 200°C for different times (0, 4, 8, and 12 h). In order to obtain a well-crystalline powders with a stable, single-phase structure of CdSe, and then delve into studying their structural and morphological properties and ensuring that they are completely free of impurities, that is, the presence of only the basic components of Cd and Se, while determining their atomic ratios, as well as explaining the chemical reactions occurring in both protocols, the rate of change on the CdSe nano-powders under the influence of increasing the annealing time was clear and very important until very satisfactory results were given compared to what was obtained from the hydrothermal process alone, that is, without annealing. This required the use of several techniques. The diffractograms of the two CdSe powders after a certain annealing time estimated between 4 and 8 h depending on the protocol of synthesis, showed a crystallization of pure hexagonal structure of the CdSe wurtzite phase with crystallites of nanometric size, approximately 13 nm.

硒化镉半导体纳米结构粉末采用两种合成方案通过水热法制备,然后在 200°C 下进行不同时间(0、4、8 和 12 小时)的退火。为了获得具有稳定单相结构的碲化镉良好结晶粉末,然后深入研究其结构和形态特性,并确保它们完全不含杂质,即只存在镉和硒的基本成分,同时确定它们的原子比、此外,在解释这两种方法中发生的化学反应时,硒化镉纳米粉体在增加退火时间影响下的变化率是非常明确和重要的,直到与仅通过水热法(即不进行退火)获得的结果相比,获得了非常令人满意的结果。这需要使用多种技术。两种硒化镉粉末的衍射图在经过一定的退火时间(根据合成方案的不同,退火时间估计在 4 到 8 小时之间)后,显示出硒化镉钨锆相的纯六方结构结晶,结晶大小为纳米级,约为 13 纳米。
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引用次数: 0
Nanocontainer for Binding and Neutralization of Paraquat 用于结合和中和百草枯的纳米容器
IF 0.9 4区 化学 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-10-29 DOI: 10.1134/S1070363224090123
A. Y. Ziganshina, A. V. Shutova, E. E. Mansurova, A. A. Maslennikov, R. R. Fazleeva, V. V. Yanilkin, A. P. Lyubina, A. D. Voloshina, I. R. Nizameev, M. K. Kadirov, I. S. Antipin

Paraquat, an herbicide used to control annual and perennial weeds, poses risks to human, animal, and environmental health due to its toxicity. This article introduces a nanocontainer designed to bind and neutralize paraquat. The nanocontainer is a nanoscale sphere created through microemulsion polycondensation of resorcinarenes with tyrosine and carboxylate groups and phenylboronic acid. Transmission electron microscopy and dynamic light scattering indicate that the average size of the nanocontainer is approximately 300 nm. Fluorescence and NMR spectroscopy show that the nanocontainer binds paraquat, resulting in a shift of proton signals towards higher fields and fluorescence quenching, with a binding constant of 28000 M−1. This interaction alters the electrochemical properties, contributing to toxicity. In the cyclic voltammetry analysis of paraquat, adding the nanocontainer after three reduction cycles eliminates the reduction peaks, indicating complete neutralization of paraquat. The article details the nanocontainers synthesis, physicochemical properties, binding efficiency of paraquat, and its impact on electrochemical behavior, as well as potential applications for mitigating paraquats harmful effects.

百草枯是一种用于控制一年生和多年生杂草的除草剂,因其毒性而对人类、动物和环境健康构成风险。本文介绍了一种用于结合和中和百草枯的纳米容器。该纳米容器是由带有酪氨酸和羧酸基团的间苯二酚与苯硼酸通过微乳缩聚反应制成的纳米级球体。透射电子显微镜和动态光散射表明,纳米容器的平均尺寸约为 300 纳米。荧光光谱和核磁共振光谱显示,纳米容器与百草枯结合,导致质子信号向高场移动和荧光淬灭,结合常数为 28000 M-1。这种相互作用改变了电化学特性,从而导致毒性。在百草枯的循环伏安分析中,在三个还原循环后加入纳米容器,还原峰消失,表明百草枯完全中和。文章详细介绍了纳米容器的合成、理化性质、与百草枯的结合效率及其对电化学行为的影响,以及在减轻百草枯有害影响方面的潜在应用。
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引用次数: 0
Femtosecond Laser Pulses Amplification Methods 飞秒激光脉冲放大方法
IF 0.9 4区 化学 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-10-29 DOI: 10.1134/S1070363224090317
B. Y. Parshikov, N. V. Prudnikov, E. A. Leonova, N. A. Solovyov

The article presents methods for amplifying femtosecond laser pulses. A chirped-pulse amplification setup and a grating-based device are presented that can be used to amplify a chirped pulse with a total gain of up to 1011. A typical block diagram of a chirped-pulse amplifier for producing high-power femtosecond pulses is described. The use of an amplifying system consisting of a multipass amplifier and amplification stages with a progressive increase in the diameter of the laser beam makes it possible to increase the pulse energy by a factor of 108–109, avoiding damage to the amplifying elements. The method of amplifying chirped pulses requires the use of diffraction gratings with sizes close to 1 m to amplify pulses up to energies of tens of J. In particular, the use of giant laser systems based on amplifying cascades containing neodymium glass plates is noted. A parametric method for amplifying femtosecond pulses is considered. The advantages and disadvantages of parametric amplification are discussed. A general block diagram of an installation for obtaining petawatt-level femtosecond pulses by parametric amplification is presented. The principle of parametric amplification is used not only to obtain ultra-high powers and intensities, but also to achieve high values of other parameters.

文章介绍了放大飞秒激光脉冲的方法。文章介绍了一种啁啾脉冲放大装置和一种基于光栅的设备,可用于放大总增益高达 1011 的啁啾脉冲。介绍了用于产生高功率飞秒脉冲的啁啾脉冲放大器的典型框图。使用由多路放大器和放大级组成的放大系统,激光束的直径逐渐增大,从而可以将脉冲能量提高 108-109 倍,同时避免对放大元件造成损坏。放大啁啾脉冲的方法需要使用尺寸接近 1 米的衍射光栅,以放大能量高达数十 J 的脉冲。研究还考虑了放大飞秒脉冲的参数方法。讨论了参数放大的优缺点。介绍了利用参数放大法获得帕瓦级飞秒脉冲的装置的总体框图。参数放大原理不仅可用于获得超高功率和强度,还可用于获得其他参数的高值。
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引用次数: 0
Interaction of C-Alkylsubstituted-1,5,10,14-tetraazacyclooctadeca-4,13-diene with Carboxylic Acid Halides As a New Method for the Synthesis of C- and N-Acyl-2,3,6,7,8,9-hexahydro-1H-1,5-diazonines C-烷基取代的-1,5,10,14-四氮杂环十八碳-4,13-二烯与羧酸卤化物的相互作用是合成 C-和 N-酰基-2,3,6,7,8,9-六氢-1H-1,5-二氮杂蒽的新方法
IF 0.9 4区 化学 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-10-29 DOI: 10.1134/S1070363224090044
N. A. Anisimova, V. V. Mikhailov

The reactions of 2,2,4,11,11,13-hexamethyl-1,5,10,14-tetraazacyclooctadeca-4,13-diene with carboxylic acid chlorohydrides produced C- and N-acyl substituted 2,3,6,7,8,9-hexahydro-1H-1,5-diazonines. The structure of the obtained C- and N-acyldiazonines was studied by 1H and 13C NMR spectroscopy using two-dimensional experiments 1H-13C HMQC, HMBC, 1H-1H COSY.

2,2,4,11,11,13-六甲基-1,5,10,14-四氮杂环十八烷-4,13-二烯与羧酸氯化物反应生成了 C-和 N-酰基取代的 2,3,6,7,8,9-六氢-1H-1,5-二氮杂蒽。利用二维实验 1H-13C HMQC、HMBC、1H-1H COSY,通过 1H 和 13C NMR 光谱研究了所获得的 C- 和 N- 乙酰基二氮杂蒽的结构。
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引用次数: 0
Computational Investigation with Toxicophore Study of 1,2,3-Triazole Derivatives as an Effective Inhibitor Against Prostate Cancer 将 1,2,3-三唑衍生物作为前列腺癌有效抑制剂的计算研究与毒物研究
IF 0.9 4区 化学 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-10-29 DOI: 10.1134/S1070363224090238
Y. Koubi, Y. Moukhliss, O. Abdessadak, M. Alaqarbeh, M. A. Ajanaa, H. Maghat, T. Lakhlifi, M. Bouachrine

Prostate cancer is a well-known disease that has gained significant attention in recent years. To improve and suggest new compounds with anticancer activity, it has become essential to identify new proposed agents through innovative and reliable methods such as computational small molecule discovery methods. In this regard, 3D-QSAR and Molecular Docking studies have been conducted on disubstituted 1,2,3-triazole derivatives as antiproliferative analogs, using static methods to find the right model. The study established 3D-QSAR model based on Comparative Molecular Field Analysis (CoMFA) and Comparative Molecular Similarity Index Analysis (CoMSIA). The best model was obtained with CoMFA model (Q2 = 0.696, R2 = 0.992, R = 0.985) and CoMSIA model (Q2 = 0.582, R2 = 0.992, R = 0.984) statistical coefficients. To determine the predictive power of the model, we need to calculate the parameters of k, Roy, Golbraikh, and Tropsha for the test set and the y, SEE, and t-F randomization tests for the training set. Docking’s results suggest that amino acids (PDB; 3 ERT), Asp351, Leu384, Arg394, Phe404, Leu346, Leu525, and Thr347, have a significant interest in anticancer activity. The CoMFA model’s steric and electrostatic field contours were studied to determine the results further. The study suggests four new antiproliferative agents that have demonstrated reliability through ADMET and toxicophore methods.

前列腺癌是一种众所周知的疾病,近年来备受关注。为了改进和提出具有抗癌活性的新化合物,必须通过创新和可靠的方法(如计算小分子发现方法)来确定新的拟议制剂。为此,我们采用静态方法对作为抗增殖类似物的二取代 1,2,3-三唑衍生物进行了三维-QSAR 和分子对接研究,以找到合适的模型。该研究基于比较分子场分析(CoMFA)和比较分子相似性指数分析(CoMSIA)建立了三维-QSAR 模型。CoMFA 模型(Q2 = 0.696,R2 = 0.992,R = 0.985)和 CoMSIA 模型(Q2 = 0.582,R2 = 0.992,R = 0.984)的统计系数获得了最佳模型。为了确定模型的预测能力,我们需要计算测试集的 k、Roy、Golbraikh 和 Tropsha 参数,以及训练集的 y、SEE 和 t-F 随机检验参数。Docking 的结果表明,氨基酸(PDB; 3 ERT)Asp351、Leu384、Arg394、Phe404、Leu346、Leu525 和 Thr347 在抗癌活性方面具有重要意义。研究人员对 CoMFA 模型的立体和静电场轮廓进行了研究,以进一步确定研究结果。研究提出了四种新的抗增殖药剂,通过 ADMET 和毒物团方法证明了它们的可靠性。
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引用次数: 0
Green Synthesis of Zinc Oxide Nanoparticles: Anticancer аnd Antibacterial Applications (A Review) 氧化锌纳米粒子的绿色合成:抗癌和抗菌应用(综述)
IF 0.9 4区 化学 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-10-29 DOI: 10.1134/S1070363224090500
S. López-Cuenca, R. Salazar-Peña, M. A. Pedroza-Toscano

Nanoparticles have unique characteristics with applications in different fields of industry and medicine. There are several methods for synthesizing zinc oxide nanoparticles, mostly according economic and environmental criteria. On this contribution, it is presented a review on zinc oxide nanoparticles synthesized by “green route” methods and their biomedical advantages such as anticancer and antibacterial properties. To obtain this type of environment-friendly nanoparticles with different morphologies, zinc salts are used as precursor and as reductants. Plants as biological media are used as well, that is because naturally occurs within their systems reduction processes and/or phytochemical extracts of some part of plants. Thankfully to these green routes, the exposure and final disposal of toxic substances that involve conventional chemical methods are mitigated.

纳米粒子具有独特的特性,可应用于不同的工业和医学领域。目前有多种方法合成纳米氧化锌粒子,主要是根据经济和环境标准。本文综述了通过 "绿色路线 "方法合成的纳米氧化锌颗粒及其生物医学优势,如抗癌和抗菌特性。为了获得这种具有不同形态的环境友好型纳米粒子,锌盐被用作前体和还原剂。此外,还使用植物作为生物媒介,这是因为植物系统中自然存在还原过程和/或植物中某些部分的植物化学提取物。由于采用了这些绿色方法,减少了传统化学方法中有毒物质的接触和最终处置。
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引用次数: 0
Metal Exchange Reaction of Mg(II)-Octa-(4-fluorophenyl)tetraazaporphyrin with d-Metal Salts in Dimethylformamide 二甲基甲酰胺中八-(4-氟苯基)四氮杂卟啉镁(II)与 d-金属盐的金属交换反应
IF 0.9 4区 化学 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-10-29 DOI: 10.1134/S1070363224090093
S. V. Zvezdina, N. V. Chizhova, N. Zh. Mamardashvili

The metal exchange reaction of Mg(II)-octa-(4-fluorophenyl)tetraazaporphyrin with Co(II), Cu(II), and Mn(II) chlorides in dimethylformamide has been studied by the spectrophotometric method. The kinetic parameters were calculated and the stoichiometric mechanism of the metal exchange reaction was established. The influence of the solvate salt nature and the tetrapyrrole macrocycle chemical modification on the kinetic parameters of the studied reaction was revealed. Using the metal exchange reaction of Mg(II)-octa-(4-fluorophenyl)tetraazaporphyrin with CoCl2 in dimethylformamide, Co(II)-octa-(4-fluorophenyl)tetraazaporphyrin was synthesized. Co(III)-octa-(4-fluorophenyl)tetraazaporphyrin was obtained by treating Co(II)-porphyrazine with a dimethylformamide-hydrochloric acid mixture. The processes of cobalt complexes oxidation and reduction in solvents of various natures were studied.

采用分光光度法研究了 Mg(II)-octa-(4-fluorophenyl)tetraazaporphyrin 与 Co(II)、Cu(II) 和 Mn(II) 氯化物在二甲基甲酰胺中的金属交换反应。计算了动力学参数,并建立了金属交换反应的化学计量学机制。揭示了溶盐性和四吡咯大环化学修饰对所研究反应动力学参数的影响。利用 Mg(II)-octa-(4- 氟苯基)四氮杂卟啉与 CoCl2 在二甲基甲酰胺中的金属交换反应,合成了 Co(II)-octa-(4- 氟苯基)四氮杂卟啉。Co(II)-卟吩与二甲基甲酰胺-盐酸混合物处理后得到 Co(III)-辛-(4-氟苯基)四氮杂卟啉。研究了钴络合物在不同性质溶剂中的氧化和还原过程。
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引用次数: 0
An Eco-Friendly Ultrasound-Assisted Synthesis of a New Poly(thiourea-amide) and Its Application in the Removal of Ni(II) Ions from an Aqueous Solution 一种新型聚(硫脲酰胺)的环保型超声辅助合成及其在去除水溶液中的镍(II)离子中的应用
IF 0.9 4区 化学 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-10-29 DOI: 10.1134/S1070363224090184
W. A. Radhi, T. E. Jasim, A. M. Jassem

An ultrasound-assisted synthesis of a new polymer, poly[N1-({4-[3-(4-aminophenoxy)phenoxy]phenyl}carbamothioyl)-N3-thioformylisophthalamide] by a polycondensation reaction of isophthaloyl diisothiocyanate and 4,4′-(1,3-phenylenedioxy)dianiline was reported. Different techniques were utilized to prove the chemical structure of the synthesized polymer, including FTIR, 1H NMR, TGA, Brunauer–Emmett–Teller (BET), and field emission scanning electron microscopy (FESEM). The capability of the synthesized polymer to adsorb Ni(II) ions from an aqueous solution was analytically evaluated. The change of several parameters including contact time, Ni(II) ions concentration, pH, and temperature on the adsorption process onto the target polymer was extensively investigated. The results indicated that the optimal adsorption pH was about 7 with the removal efficiency of 78.379% and the adsorbed amount of Ni(II) ions increased when the temperature was increased. The adsorption isotherms analysis revealed that the Langmuir model was the most relevant to describe the adsorption process compared with the Freundlich model. The study of adsorption kinetics showed that the adsorption model of Ni(II) ions onto the surface polymer being significantly correlated with pseudo-second-order model. Based on the thermodynamic studies, the calculated ΔG was negative, ΔH was endothermic, and ΔS was positive, verifying that the adsorption process is spontaneous.

一种新型聚合物聚[N1-({4-[3-(4-氨基苯氧基)苯氧基]苯基}氨基甲硫酰基)-N3-硫代甲酰基间苯二甲酰胺]的超声辅助合成方法被报道。报告了通过异酞酰基二异硫氰酸酯和 4,4′-(1,3-苯二氧基)二苯胺的缩聚反应生成的 N-({4-[3-(4-氨基苯氧基)苯氧基}氨基甲硫酰基)-N3-硫代甲酰异酞酰胺。为了证明合成聚合物的化学结构,研究人员采用了不同的技术,包括傅立叶变换红外光谱、1H NMR、热重分析、Brunauer-Emmett-Teller(BET)和场发射扫描电子显微镜(FESEM)。分析评估了合成聚合物吸附水溶液中 Ni(II) 离子的能力。广泛研究了目标聚合物吸附过程中几个参数的变化,包括接触时间、镍(II)离子浓度、pH 值和温度。结果表明,最佳吸附 pH 值约为 7,去除率为 78.379%;温度升高时,镍(II)离子的吸附量增加。吸附等温线分析表明,与 Freundlich 模型相比,Langmuir 模型最适合描述吸附过程。吸附动力学研究表明,Ni(II) 离子在表面聚合物上的吸附模型与伪二阶模型有明显的相关性。根据热力学研究,计算得出的 ΔG 为负值,ΔH 为内热,ΔS 为正值,验证了吸附过程是自发的。
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引用次数: 0
Disulfonamide Piperazine Derivatives: Synthesis, Characterization, Crystal Structures Studies, and Evaluation of Cell Proliferation Activity 二磺酰胺哌嗪衍生物:合成、表征、晶体结构研究和细胞增殖活性评估
IF 0.9 4区 化学 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-10-04 DOI: 10.1134/S1070363224080267
L. Beliyaiah, A. Dilkalal,  Vinaya, U. Basavaiah, S. Parkin, R. J. Butcher, H. S. Yathirajan, Y. B. Basavaraju

In the present study, disulfonamides piperazine derivatives were synthesized by Hinsberg reaction of various sulfonyl chlorides with 2-(piperazin-1-yl)ethanamine and evaluation their cell proliferation activity. All the synthesized compounds were characterized by 1H, 13C NMR, mass spectrometry and X-ray crystallographic techniques. X-ray diffraction studies revealed that the central piperazine ring and two terminal substituted sulfonyl phenyl rings joined by sulfonamide linkage are present in every structure. The cell proliferation activity of synthesized compounds was measured on human buccal mucosa oral fibroblast primary cell lines. Among the synthesized compounds, 4-nitro-N-(2-{4-[(4-nitrophenyl)sulfonyl]piperazin-1-yl}ethyl)benzenesulfonamide, 4-(trifluoromethyl)-N-[2-(4-[4-(trifluoromethyl)phenyl]sulfonyl}piperazin-1-yl)ethyl]benzenesulfonamide and 2-nitro-N-(2-{4-[(2-nitrophenyl)sulfonyl]piperazin-1-yl}ethyl)benzenesulfonamide showed potential activity against tested cell lines.

本研究通过各种磺酰氯与 2-(哌嗪-1-基)乙胺的辛斯伯格反应合成了二磺酰胺类哌嗪衍生物,并对其细胞增殖活性进行了评估。所有合成化合物均通过 1H、13C NMR、质谱和 X 射线晶体学技术进行了表征。X 射线衍射研究表明,每个结构中都存在中心的哌嗪环和两个末端由磺酰胺连接的取代磺酰基苯基环。在人颊粘膜口腔成纤维细胞原代细胞系上测定了合成化合物的细胞增殖活性。在合成的化合物中,4-硝基-N-(2-{4-[(4-硝基苯基)磺酰基]哌嗪-1-基}乙基)苯磺酰胺、4-(三氟甲基)-N-[2-(4-[4-(三氟甲基)苯基]磺酰基}哌嗪-1-基)乙基]苯磺酰胺和 2-硝基-N-(2-{4-[(2-硝基苯基)磺酰基]哌嗪-1-基}乙基)苯磺酰胺对测试的细胞株具有潜在的活性。
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引用次数: 0
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