2619-88-7Relevant articles and documents
Synthesis, structural studies and biological evaluation of connections of thiosemicarbazide, 1,2,4-triazole and 1,3,4-thiadiazole with palmitic acid
Jó?wiak, Micha?,St?pień, Karolina,Wrzosek, Ma?gorzata,Olejarz, Wioletta,Kubiak-Tomaszewska, Gra?yna,Filipowska, Anna,Filipowski, Wojciech,Struga, Marta
, (2018)
Thirty new derivatives of palmitic acid were efficiently synthesized. All obtained compounds can be divided into three groups of derivatives: Thiosemicarbazides (compounds 1–10), 1,2,4-triazoles (compounds 1a–10a) and 1,3,4-thiadiazoles (compounds 1b–10b) moieties. 1H-NMR, 13C-NMR and MS methods were used to confirm the structure of derivatives. All obtained compounds were tested in vitro against a number of microorganisms, including Gram-positive cocci, Gram-negative rods and Candida albicans. Compounds 4, 5, 6, 8 showed significant inhibition against C. albicans. The range of MIC values was 50–1.56 μg/mL. The halogen atom, especially at the 3rd position of the phenyl group was significantly important for antifungal activity. The biological activity against Candida albicans and selected molecular descriptors were used as a basis for QSAR models, that have been determined by means of multiple linear regression. The models have been validated by means of the Leave-One-Out Cross Validation. The obtained QSAR models were characterized by high determination coefficients and good prediction power.
FLOW CHEMISTRY SYNTHESIS OF ISOCYANATES
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Paragraph 0175; 0186;-0187; 0270; 0273-0274, (2021/06/22)
The disclosure provides, inter alia, safe and environmentally-friendly methods, such as flow chemistry, to synthesize isocyanates, such as methylene diphenyl diisocyanate, toluene diisocyanate, hexamethylene diisocyanate, isophorone diisocyanate, and tetramethylxylene diisocyanate.
Micromolecular gelator, gel material, preparation method and application
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Paragraph 0069; 0074; 0075, (2018/11/22)
The invention provides a micromolecular gelator, a gel material, a preparation method and an application. The gelator is prepared by taking cheap and easily available phenyllactic acid as a raw material and introducing a hydrazide group and a hydrophobic alkyl chain through a simple and mature chemical reaction. The gelator can effectively gelate various organic solvents; the gel material formed by the gelator and methyl benzoate can quickly and efficiently remove phenol from sewage; the gelator can selectively gelate petroleum products such as gasoline, diesel oil, kerosene and lubricating oil, and crude oil in an oil-water mixture without the help of an additive; oil and water separation is achieved by simple operation; the gelator can be used for leakage management of the crude oil andthe petroleum products and is multifunctional; and in addition, the gelator has good recyclability and very good application prospects in the fields of phenol removal from the sewage, marine oil spilltreatment and the like.
A new class of human fatty acid synthase inhibitors: Synthesis and their anticancer evaluation
Jubie,Bincy,Jameera Begam,Ashish,Kalirajan,Afzal Azam
, p. 671 - 678 (2019/05/22)
A series of 3-pentadecyl/heptadecyl-6-subsituted phenyl[l,2,4]triazolo[3,4-&][l,3,4]thiadiazoles have been designed, synthesized and screened for their in vitro antitumour activity against breast cancer cell Jines. Three compounds namely, 3- pentadecyl-6-phenyl[l,2,4]triazolo[3,4-b][l,3,4]thiadiazole (6e), 3-heptadecyl-6-phenyl[l,2,4]triazolo[3,4-i][l,3,4]thiadiazole (6j) and 3-heptadecyl-6(3-nitrophenyl)[l,2,4]triazolo[3,4b][l,3,4]-thiadiazole (6g) have displayed comparable activities towards human breast cancer lines. Molecular docking studies have been carried out on the crystal structure of human fatty acid synthase thioesterase domain (2PX6) by using GLIDE integrated Maestro 9.3 version. The designed compounds have shown good binding interactions with the active site residues present in the enzyme and have given very good G-scores when compared to the known inhibitor orlistat.
