Category: 2682-49-7

The reaction rate of a catalyzed reaction is faster than the reaction rate of the uncatalyzed reaction at the same temperature.name: Thiazolidin-2-one, Name is Thiazolidin-2-one, molecular formula is C3H5NOS, name: Thiazolidin-2-one. In a Article, authors is Fatma, Shaheen，once mentioned of name: Thiazolidin-2-one

Quantum chemical calculations and molecular docking studies of 5-(4-chlorobenzylidene)thiazolidine-2,4-dione(CTD) and its mannich product 5-(4-chlorobenzylidene)-3-(morpholinomethyl)thiazolidine-2,4-dione (CMTD)

This work presents the synthesis of 5-(4-chlorobenzylidene)thiazolidine-2,4-dione (CTD) by Claisen condensation of thiazolidine-2,4-dione and mannich product of CTD, 5-(4-chlorobenzylidene)-3-(morpholinomethyl)thiazolidine-2,4-dione (CMTD). The static first hyperpolarizability values for thiazolidine-2,4-dione derivatives have been calculated as 10.28 × 10?30 esu for CTD and 19.42 × 10?30 esu for CMTD. The gradual increase in hyperpolarizability values of synthesized thiazolidine-2,4-dione derivatives from CTD to CMTD is due to the blockage of [sbnd]NH group on CTD by mannich reaction. The structures of these compounds have been derived by spectroscopic(IR, UV, Mass, 1H and 13C NMR) analysis as well as with the help of theoretical studies. The high values of first static hyperpolarizability indicate that the synthesized derivatives are suitable as non?linear optical (NLO) material. CTD with MIC value of 12.5 mug/mL can be developed as an alternative drug for the treatment of enteric fever. Calculated frontier orbital gap values suggest that the CMTD is a soft molecule with high chemical reactivity and is more polarizable as compared to the CTD. Molecular electrostatic potential is calculated for the optimized geometry of the molecules to estimate their chemical reactivity. The inhibitor CTD forms a stable complex with 3-dehydroquinase enzyme of Salmonella typhi. It is evident from the ligand receptor interactions and a binding affinity value of ?5.88 kcal/mol and an inhibition constant of 49.22 muM. This is further confirmed by the experimental biological data. The molecular docking studies are supportive of the antibacterial activity of CTD exhibiting high inhibition constant and binding energy.

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The reaction rate of a catalyzed reaction is faster than the reaction rate of the uncatalyzed reaction at the same temperature.Application In Synthesis of Thiazolidin-2-one, Name is Thiazolidin-2-one, molecular formula is C3H5NOS, Application In Synthesis of Thiazolidin-2-one. In a Article, authors is Abou-Elmagd, Wael S. I.，once mentioned of Application In Synthesis of Thiazolidin-2-one

Synthesis and antimicrobial activity evaluation of the pyrrole-derived heterocycles bearing two functionalities

Background: The pyrrole ring is widely spread and incorporated into the structures of many naturally occurring compounds e.g. heme, chlorophyll, vitamin B12 and the bile pigments. Pyrrolnitrin and pyoluteorin are naturally occurring pyrroles which have antibiotic activity, and the methyl ester of 4-methylpyrrole-2-carboxylic acid is an insect pheromone. Moreover, the highly successful cholesterol lowering drug Lipitor is a poly substituted pyrrole derivative. Methods: Some novel pyrrole derivatives bearing other heterocyclic rings at positions-2 and -3 were synthesized and their antimicrobial activities were studied. Results: A series of novel pyrrolinthione, thiazolidinone, thiazolone, tetrazole, sulphonamides derivatives have been synthesized through a facile strategy and screened for antimicrobial activities, some of the prepared compounds exhibited high antibacterial and antifungal activities compared with the standard drugs. Conclusion: These compounds provided the impetus for most of the early work on the synthesis and reactions of pyrroles and still a very active of research. Many such explorations are anticipated in near future.

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Chemotherapy of breast cancer by heterocyclic compounds

Heterocyclic compounds are generally scattered in nature and occupy a prominent location in medicinal chemistry as pharmaceuticals and drug intermediates. They play a widespread role in the metabolism of living cells, and clinically used to treat diverse sicknesses. The healing significance of heterocyclics has created a much interest in the synthesis of latest heterocyclic machine instructions to look at the sulphur and nitrogen condensed biodynamic. Reviews of the pharmacological pastime of 1,2,4- triazole derivatives are presented. a few bi-heterocyclic compounds incorporating a 1,3,4-thiazole and 1,2,four-triazole ring are presented as antimicrobial dealers.1,2,4-triazole derivatives template is a privileged fragment in cutting-edge medicinal chemistry thinking about its wide pharmacological spectrum and liking for various bio-targets. It is among the usually occurring heterocyclic nuclei in many marine in addition to herbal plant merchandise possessing a wide variety of biological packages.

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Biochemical indicators of nephrotoxicity in blood serum of rats treated with novel 4-thiazolidinone derivatives or their complexes with polyethylene glycol-containing nanoscale polymeric carrier

The aim of this study was to compare the effect of new synthetic 4-thiazolidinone derivatives (potential anticancer compounds denoted as 3882, 3288 and 3833) and doxorubicin (positive control) in free form and in their complexes with synthetic polyethylene glycol-containing nanoscale polymeric carrier on the biochemical indicators of nephrotoxicity in blood serum of rats. The concentration of total protein, urea, creatinine, glucose, ions of sodium, potassium, calcium, iron and chloride was measured. It was found that after injection of the investigated compounds, the concentration of sodium cations and chloride anions in blood serum was increased compared with control (untreated animals). Doxorubicin?s injection was accompanied by a decrease in the concentration of iron cations. The concentration of total protein, urea and creatinine decreased under the influence of the studied compounds. Complexation of these antineoplastic substances with a synthetic polymeric nanocarrier lowered the concentration of the investigated metabolites substantially compared to the effect of these compounds in free form. The normalization of concentration of total protein, urea and creatinine in blood serum of rats treated with complexes of the studied compounds with the polymeric carrier comparing with increased concentration of these indicators at the introduction of such compounds in free form was found.

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The reaction rate of a catalyzed reaction is faster than the reaction rate of the uncatalyzed reaction at the same temperature.SDS of cas: 2682-49-7, Name is Thiazolidin-2-one, molecular formula is C3H5NOS, SDS of cas: 2682-49-7. In a Review, authors is Eleftheriou, Phaedra，once mentioned of SDS of cas: 2682-49-7

PTP1b inhibition, a promising approach for the treatment of diabetes type II

Background: Diabetes Mellitus (DM), is a metabolic disorder characterized by high blood glucose levels. The main types of diabetes mellitus are Diabetes mellitus type I, Diabetes mellitus type II, gestational diabetes and Diabetes of other etiology. Diabetes type II, the Non Insulin Dependent Type (NIDDM) is the most common type, characterized by the impairment in activation of the intracellular mechanism leading to the insertion and usage of glucose after interaction of insulin with its receptor, known as insulin resistance. Although, a number of drugs have been developed for the treatment of diabetes type II, their ability to reduce blood glucose levels is limited, while several side effects are also observed. Furthermore, none of the market drugs targets the enhancement of the action of the intracellular part of insulin receptor or recuperation of the glucose transport mechanism in GLUT4 dependent cells. The Protein Tyrosine Phosphatase (PTP1b) is the main enzyme involved in insulin receptor desensitization and has become a drug target for the treatment of Diabetes type II. Several PTP1b inhibitors have already been found, interacting with the binding site of the enzyme, surrounding the catalytic amino acid Cys215 and the neighboring area or with the allosteric site of the enzyme, placed at a distance of 20 A from the active site, around Phe280. However, the research continues for finding more potent inhibitors with increased cell permeability and specificity. Objective: The aim of this review is to show the attempts made in developing of Protein Tyrosine Phosphatase (PTP1b) inhibitors with high potency, selectivity and bioavailability and to sum up the indications for favorable structural characteristics of effective PTP1b inhibitors. Methods: The methods used include a literature survey and the use of Protein Structure Databanks such as PuBMed Structure and RCSB and the tools they provide. Conclusion: The research for finding PTP1b inhibitors started with the design of molecules mimicking the Tyrosine substrate of the enzyme. The study revealed that an aromatic ring connected to a polar group, which preferably enables hydrogen bond formation, is the minimum requirement for small inhibitors binding to the active site surrounding Cys215. Molecules bearing two hydrogen bond donor/acceptor (Hb d/a) groups at a distance of 8.5-11.5 A may form more stable complexes, interacting simultaneously with a secondary area A2. Longer molecules with two Hb d/a groups at a distance of 17 A or 19 A may enable additional interactions with secondary sites (B and C) that confer stability as well as specificity. An aromatic ring linked to polar or Hb d/a moieties is also required for allosteric inhibitors. A lower distance between Hb d/a moieties, around 7.5 A may favor allosteric interaction. Permanent inhibition of the enzyme by oxidation of the catalytic Cys215 has also been referred. Moreover, covalent modification of Cys121, placed near but not inside the catalytic pocket has been associated with permanent inhibition of the enzyme.

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In homogeneous catalysis, the catalyst is in the same phase as the reactant. The number of collisions between reactants and catalyst is at a maximum.In a patent, 2682-49-7, name is Thiazolidin-2-one, introducing its new discovery. HPLC of Formula: C3H5NOS

Isatin?azole hybrids and their anticancer activities

Isatin and azole moieties, which have the ability to form various noncovalent interactions with different therapeutic targets, are common pharmacophores in drug development. Isatin and azole derivatives possess promising in vitro and in vivo anticancer activity, and many of them, such as semaxanib, sunitinib, and carboxyamidotriazole, could be used to treat various cancers. Thus, it is conceivable that hybridization of the isatin moiety with azole may provide a valuable therapeutic intervention for the treatment of cancer. Substantial efforts have been made to develop isatin?azole hybrids as novel anticancer agents, and some of the isatin?azole hybrids exhibited considerable activity. This review emphasizes isatin?azole hybrids with potential anticancer activity, covering articles published between 2010 and 2019. The structure?activity relationships as well as the mechanisms of action are also discussed to provide insights for the rational design of more effective candidates.

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A facile access and evaluation of some novel thiazole and 1,3,4-thiadiazole derivatives incorporating thiazole moiety as potent anticancer agents

Background: Many heterocyclic compounds containing thiazole or 1,3,4-thiadiazole ring in their skeletons have been reported to possess various pharmacological activities especially anticancer activities. Results: 4-Methyl-2-phenylthiazole-5-carbohydrazide (2) was used as a synthon to prepare 2-(4-methyl-2-phenylthiazole-5-carbonyl)-N-phenylhydrazinecarbothioamide (3) and 2-(2-(4-methyl-2-phenylthiazole-5-carbonyl)hydrazono)-N’-phenylpropane hydrazonoyl chlorides 5a-c. In addition, thioamide 3 was used as starting material for preparation of a new series of thiadiazole derivatives via its reaction with hydrazonoyl chlorides 5a-c in dioxane using triethylamines as catalyst. In addition, a series of thiazole derivatives was synthesized by reaction of thioamide 3 with a number of alpha-halo compounds, namely, 3-chloropentane-2,4-dione (8) or 2-chloro-3-oxo-N-phenyl butanamide (10) phenacyl bromide 12 ethyl chloroacetate (14) in EtOH in the presence of triethylamine. The structures assigned for all the new products were elucidated based on both elemental analyses and spectral data and the mechanisms of their formation was also discussed. Moreover, the new products was evaluated in vitro by MTT assays for their anticancer activity against cell lines of Hepatocellular carcinoma cell line (HepG-2). The best result observed for compounds 7b (IC50 = 1.61 ± 1.92 (mug/mL)) and 11 (IC50 = 1.98 ± 1.22 (mug/mL)). The structure-activity relationships have been suggested based on their anticancer results. Conclusions: A novel series of new pharmacophores containing thiazole moiety have been synthesized using a facile and convenient methods and evaluated as potent anticancer agents.

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Structural activity analysis, spectroscopic investigation, biological and chemical properties interpretation on Beta Carboline using quantum computational methods

Organic chemistry; Theoretical chemistry; -carboline; QSAR; biological activity; chemical reaction path; bathochromic; electronic shift; VCD. In this methodological work, the structural activity analysis have been carried out on beta-Carboline to study the anti cancer activity and the way of improving the biological activity. The molecular spectroscopic tools were used to evaluate all the experimental data like spectral results and data were validated by the computational, HyperChem and Osiris tools. The structural, biological and physico-chemical related analyses have been performed to interpret the properties. The GPCR ligand calculated to be 0.11 for generating pharmacokinetic process, Specified drug information for the compound, was congregated from all types of structural activity which was drawn by spectral and HyperChem data. The sigma and pi interaction band gap (6.18 eV) ensured the drug consistency. The Mulliken charge process distribution was mapped, the charge orientation assignment was checked; the acquired negative charge potential consignment for the cause of antibiotic impact was verified. The molecular orbital interaction study was carried out to identify the origination of degeneracy of interaction causing drug mechanism. Using NMR spectral pattern, the chemical reaction path was recognized and the nodal region dislocation was distinguished on chemical shift. The Electronegativity (chi) and Electrophilicity charge transfer found to be 3.83 and 0.215, confirmed charge complex transfer for activating drug process in the compound. The molecular nonbonding section was thoroughly observed in order to find the occupancy energy, was the key process to initiate drug activity. The bathochromic electronic shift was observed and the existence of CT complex was discussed. The hindering of toxicity was inspected on inevitable chirality of the compound by specifying VCD spectrum.

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Related Products of 2682-49-7, Because a catalyst decreases the height of the energy barrier, its presence increases the reaction rates of both the forward and the reverse reactions by the same amount.2682-49-7, Name is Thiazolidin-2-one, molecular formula is C3H5NOS. In a article，once mentioned of 2682-49-7

Spectral studies of polymer supported chelates

The reaction between polystyrene 3-formylsalicylate and 2-Aminobenzylalcohol in DMF in the presence of ethyl acetate results in the formation of polystyrene N-(2-hydroxymethylphenyl)-2′-hydroxybenzylideneimine-3′- carboxylate (I). A benzene suspension of I reacts with mercaptoacetic acid undergoes cyclization and forms polystyrene N-(2-hydroxymethylphenyl)-C-(3′-carboxy-2′-hydroxyphenyl)thiazolidine-4-one, PSCH2?LH2 (II). A DMF suspension of II reacts with Mn(II) and Cd(II) ions and forms the corresponding polystyrene-anchored coordination compounds, [PSCH2?LHMn(OAc)(DMF)3] (III) and [PSCH2?LHCd(OAc)(DMF)] (IV). The polystyrene-anchored coordination compounds have been characterized on the basis of elemental analyses, spectral (IR, reflectance) studies and magnetic susceptibility measurements. II behave as a monobasic bidentate OS donor ligand in the coordination compounds. An octahedral structure for III and tetrahedral structure for IV are suggested.

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Quinuclidine – Wikipedia,
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Synthesis of novel 2-Thioxothiazolidin-4-one and thiazolidine-2, 4-dione derivatives as potential anticancer agents

A variety of novel thiazolidine derivatives (2-Thioxothiazolidin-4-one and thiazolidine-2, 4-dione derivatives) have been prepared by using 2,4-diphenyl-2Hchromene- 3-carbaldehyde and its derivatives as starting materials. This is the first example of the preparation of thiazolidine derivatives through this novel method. Structure evolution of the resulting thiazolidine derivatives leads to anticancer agents. Our preliminary data for some model compounds on three cancer cell lines (MCF7, A549 and B-16) suggested reasonable anticancer activity against the A549 and B-16 cell lines, with IC50 values of 20.7 and 20.4 muM, respectively. This method is operationally simple and works with a diverse range of substrates.

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