Tag: M.W:100-200

One of the major reasons for studying chemical kinetics is to use measurements of the macroscopic properties of a system, such as the rate of change in the concentration of reactants or products with time. 1070-70-8, Name is 1,4-Butanediol diacrylate, formurla is C10H14O4. In a document, author is Abdizadeh, Rahman, introducing its new discovery. Quality Control of 1,4-Butanediol diacrylate.

In silico studies of novel scaffold of thiazolidin-4-one derivatives as anti-Toxoplasma gondii agents by 2D/3D-QSAR, molecular docking, and molecular dynamics simulations

Toxoplasma gondii is an obligate intracellular protozoa that can infect a wide variety of warm-blooded animals and humans. It was claimed that novel anti-Toxoplasma gondii agents were optimized as potential drug candidates, designed and created as significant agents. In this work, molecular modeling studies, including CoMFA, CoMFA-RF, CoMSIA, and HQSAR were performed on a set of 59 thiazolidin-4-one derivatives as anti-T. gondii agents. The statistical qualities of generating models were justified by internal and external validation, i.e., cross-validated correlation coefficient (q(2)), non-cross-validated correlation coefficient (rncv2and predicted correlation coefficient (rpred2 respectively. The CoMFA (q(2), 0.897;rncv2 0.933; rpred2 0.938), CoMFA-RF (q(2), 0.900;rncv20.935; rpred2 0.998), CoMSIA (q(2), 0.910;rncv2.950; rpred2 0.998), and HQSAR models (q(2), 0.924;rncv20.953; rpred2, 0.995) for training and test set yielded significant statistical results. Therefore, these QSAR models were excellent, robust, and had better predictive capability. Contour maps of the QSAR models were generated and validated by molecular dynamics simulation-assisted molecular docking study. The final QSAR models could be useful for the design and development of novel potent anti-T. gondii agents.

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Reference:
Thiazolidine – Wikipedia,
,Thiazolidine – ScienceDirect.com

Reference of 1070-70-8, Enzymes are biological catalysts that produce large increases in reaction rates and tend to be specific for certain reactants and products. 1070-70-8, Name is 1,4-Butanediol diacrylate, SMILES is C=CC(OCCCCOC(C=C)=O)=O, belongs to thiazolidines compound. In a article, author is Hou, Yuheng, introduce new discover of the category.

Synthesis of seven-membered iminosugars fused thiazolidin-4-one and benzthiazinan-4-one and their HIV-RT inhibitory activity

Novel seven-membered iminosugars fused thiazolidin-4-one and benzthiazinan-4-one were conveniently synthesized by the tandem Staudinger/aza-Wittig/cyclization reaction under microwave radiation. Benzoyl group (Bz) migrations were found in the synthesis of 8c and 9b using D-galactoside or D-mannoside as starting materials, respectively, which was suggested by HMBC and X-ray. The new bi/tricyclic iminosugars 3 similar to 4(a-d) and 5(b-d) were examined for their HIV reverse transcriptase (RT) inhibitory activities. The result showed that all compounds except 5b could effectively inhibit RT activity. Among them, compounds 3c and 4c were the best ones with the IC50 values of RT inhibitory activities of 2.11 mu M and 2.73 mu M, respectively. Structure-activity relationship analysis suggested that the phenyl group in the tricyclic azasugars was beneficial for their anti-HIV RT activity. (C) 2016 Elsevier Ltd. All rights reserved.

Reference of 1070-70-8, Because enzymes can increase reaction rates by enormous factors and tend to be very specific, typically producing only a single product in quantitative yield, they are the focus of active research.you can also check out more blogs about 1070-70-8.

Reference:
Thiazolidine – Wikipedia,
,Thiazolidine – ScienceDirect.com

Let¡¯s face it, organic chemistry can seem difficult to learn. Especially from a beginner¡¯s point of view. Like 627-93-0, Name is Dimethyl adipate. In a document, author is Dolfen, Jeroen, introducing its new discovery. Product Details of 627-93-0.

LiAlH4-Induced Thia-Aza-Payne Rearrangement of Functionalized 2-(Thiocyanatomethyl)aziridines into 2-(Aminomethyl)thiiranes as an Entry to 5-(Chloromethyl)thiazolidin-2-ones

Nonactivated 2-(thiocyanatomethyl)aziridines with diverse substitution patterns were deployed as substrates to effect a LiAlH4-promoted thia-aza-Payne rearrangement to provide access to functionalized 2-(aminomethyl) thiiranes in good to excellent yields (78-94 %). The developed strategy involved hydride reduction of the thiocyanato moiety followed by intramolecular aziridine ring opening. Subsequent exposure of the obtained 2-(aminomethyl) episulfide intermediates to triphosgene resulted in the formation of 5-(chloromethyl)thiazolidin-2-ones.

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Reference:
Thiazolidine – Wikipedia,
,Thiazolidine – ScienceDirect.com

Electric Literature of 542-05-2, Catalysts allow a reaction to proceed via a pathway that has a lower activation energy than the uncatalyzed reaction. 542-05-2, Name is 3-Oxopentanedioic acid, SMILES is O=C(CC(O)=O)CC(O)=O, belongs to thiazolidines compound. In a article, author is Kumar, Keerthy Hosadurga, introduce new discover of the category.

Nano-MoO3-mediated synthesis of bioactive thiazolidin-4-ones acting as anti-bacterial agents and their mode-of-action analysis using in silico target prediction, docking and similarity searching

The efficacy of thiazolidin-4-ones as synthons for diverse biological small molecules has given impetus to anti-bacterial studies. Our work aims to synthesize novel bioactive thiazolidin-4-ones using nano-MoO3 for the first time. The compelling advantage of using nano-MoO3 is that the recovered nano-MoO3 can be reused thrice without considerable loss of its catalytic activity. The synthesized thiazolidin-4-ones were tested for anti-bacterial activity against two strains of pathogenic bacteria, namely, Salmonella typhi and Klebsiella pneumoniae. Our results indicated that 3-(benzo[d] isoxazol-3-yl)-2-(3-methoxyphenyl) thiazolidine-4-one (compound 3b) showed significant inhibitory activity towards Salmonella typhi, in comparison with gentamicin. Furthermore, in silico target prediction presented the target of compound 3b as the FtsK motor domain of DNA translocase of Salmonella typhi. Hence, our hypothesis is that compound 3b may disrupt chromosomal segregation and thereby inhibit the division of Salmonella typhi. In addition, similarity searching showed that 34 compounds with a chemical similarity of 70% or higher to compound 3b, which were retrieved from ChEMBL, bound to targets associated with biological processes related to cell development in 36% of the cases. In summary, our work details novel usage of nano-MoO3 for the synthesis of novel thiazolidin-4-ones possessing anti-bacterial activity, and presents a mode-of-action hypothesis.

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Reference:
Thiazolidine – Wikipedia,
,Thiazolidine – ScienceDirect.com

In an article, author is Alturk, Sumeyye, once mentioned the application of 627-93-0, Name is Dimethyl adipate, molecular formula is C8H14O4, molecular weight is 174.1944, MDL number is MFCD00008469, category is thiazolidines. Now introduce a scientific discovery about this category, HPLC of Formula: C8H14O4.

Synthesis, spectroscopic characterization, second and third-order nonlinear optical properties, and DFT calculations of a novel Mn(II) complex

A novel Mn(II) complex with 1,3-Thiazolidine-2,4-dicarboxylic acid and 1,10 phenanthroline has been synthesized, and its FT-IR, FT-Raman and UVevis spectra have been recorded. Density functional theory calculations with the HSEH1PBE/6-311++G(d,p) level have been used to determine optimized molecular geometry, harmonic vibrational frequencies, electronic transitions, infrared and Raman intensities and bonding features of [Mn(tda)(phen)] complex (tda = 1,3-Thiazolidine-2,4-dicarboxylic acid; Mn = Manganese (II); phen = 1,10 phenanthroline). The assignments of vibrational modes have been performed on the basis of the weightiness of internal coordinates contributing to the vibrational frequencies calculated by HSEH1PBE method. The calculated small energy gap between HOMO and LUMO energies shows that the charge transfer occurs within Mn(II) complex. Molecular stability, hyper-conjugative interactions, intramolecular charge transfer (ICT) and bond strength have been investigated by the applying of natural bond orbital (NBO) analysis. DFT calculations have been also performed to investigate total static dipole moment (mu), the mean polarizability (), the anisotropy of the polarizability (Delta alpha), the mean first-order hyperpolarizability (), and the mean second-order hyperpolarizability () for Mn(II) complex. The obtained values show that Mn(II) complex is an excellent candidate to NLO materials. (C) 2015 Elsevier B.V. All rights reserved.

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Reference:
Thiazolidine – Wikipedia,
,Thiazolidine – ScienceDirect.com

The reaction rate of a catalyzed reaction is faster than the reaction rate of the uncatalyzed reaction at the same temperature. 97-90-5, Name is Ethane-1,2-diyl bis(2-methylacrylate), SMILES is CC(C(OCCOC(C(C)=C)=O)=O)=C, in an article , author is Yousef, Mohamed A., once mentioned of 97-90-5, Recommanded Product: 97-90-5.

Design and synthesis of novel isatin-based derivatives targeting cell cycle checkpoint pathways as potential anticancer agents

In recent years, cell cycle and checkpoint pathways regulation are offering new therapeutic approaches against cancer. Isatin, is a well exploited scaffold in the anticancer domain. Accordingly, the current work describes the design and synthesis of two series of (Z)-3-substituted-2-(((E/Z)-5-substituted-2-oxo-1-substituted-indolin-3-ylidene)hydrazinylidene)-thiazolidin-4-ones, 4(a-s) and (E/Z)-1-substituted-3-(((Z)-3-substituted-4-methylthiazol-2 (3H)-ylidene)hydrazineylidene)-5-substituted-indolin-2-ones, 5(a-s). The structures of the synthesized molecules were confirmed by spectral and elemental methods of analyses. Pure diastereomers were further identified with 1H-1H-NOESY and confirmed with X-ray crystallography. The target compounds were tested in vitro for their cytotoxicity against three human epithelial cell lines, liver (HepG2), breast (MCF-7), and colon (HT-29) in addition to the diploid human normal cells (WI-38) compared to doxorubicin as a reference drug. Variable cytotoxic effects (IC50 3.29-100 A mu mol) were reported on the three cancer cell lines with pronounced selectivity compared to the normal one WI-38. The potency of the most active compounds, 4o, 4s, 5e, 5f, 5l, 5m and 5o (IC50 3.29-9.92 A mu mol), in both series associated with the (Z) configurations of N = thiazolidin/ene or one, however, the configuration of the N = isatin moiety seemed to be of no importance to the activity. The tested compounds were grouped for their possible mechanism of action into 4 categories. Compound 4o with no apparent effect on all genes examined. Compounds 4s and 5o affected all genes investigated and seem to have multiple cellular targets; induced the expression of p53 and caspases, and downregulated that of CDK1. Compounds 5l and 5m directly elevated the expression of initiator and effector caspases without going through p53 pathway. Finally, compounds 5e and 5f elevated the expression of p53 and inhibited CDK1. Compounds 4s, 5e, 5f, 5l, 5m, and 5o caused a significant elevation in the activity of cleaved caspase 3 as well. Docking studies on CDK1 revealed that the active molecules bind to the tested enzyme by the same manner of the co-crystallized ligands and the isatinthiazoldinone/ene scaffold is essential for binding of these molecules.

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Reference:
Thiazolidine – Wikipedia,
,Thiazolidine – ScienceDirect.com

One of the major reasons for studying chemical kinetics is to use measurements of the macroscopic properties of a system, such as the rate of change in the concentration of reactants or products with time. 99-86-5, Name is 1-Isopropyl-4-methylcyclohexa-1,3-diene, formurla is C10H16. In a document, author is Patel, Navin B., introducing its new discovery. HPLC of Formula: C10H16.

Significance of Microwave Irradiation in Synthesis of Thiazolidin-4-one Bearing Pyrimidine Analogues: Their in vitro Antimicrobial, Antituberculosis and Antimalarial Studies

Aims: To synthesise biologically active thiazolidin-4-one by microwave irradiation method and evaluate against different species of bacteria, fungi and Plasmodium falciparum. Background: Microwave irradiation method is serviceable for rapid and sustainable synthesis. In this present study, Thiazolidin-4-one bearing pyrimidine derivatives have been synthesized by microwave irradiation method. Objective: Thiazolidin-4-one is a valuable motif because of its broad-spectrum biological evaluation. It is famous for many types of biological profiles, mainly antimicrobial, anti-tuberculosis, anti-convulsant, antihypertensive, hypoglycemic agent and antimalarial. This biological response leads our attention towards the change of Thiazolidin-4-one skeleton to enhance potential. Present study aims to carry out a rapid synthesis of Thiazolidin-4-one derivative of pyrimidine by microwave-assisted heating. Methods: 4-(4-substituted phenyl)-6-(substituted aryl) pyrimidin-2-amine was the key intermediate required for the synthesis of 3-(4-(Substituted phenyl)-6-(substituted aryl) pyrimidin-2-yl)-2-(4-hydroxy phenyl) thiozolidin-4-one (5(A-J)), which was prepared by using microwave irradiation. The structures of all newly synthesized motifs were characterized by spectral analysis (IR, H-1 NMR, C-13 NMR spectroscopy) and screened for antibacterial activity against Escherichia coli, Pseudomonas aeruginosa, Staphylococcus aureus and Streptococcus pyogenes; antifungal activity against Candida albicans, Aspergillus niger, Aspergillus Clavatus; anti-tuberculosis activity against M. tuberculosis H37RV and antimalarial activity against Plasmodium falciparum. Results: Higher yield with less time-consuming method is the main advantage of Thiazolidin- 4-one bearing pyrimidine motifs synthesis. The excellent biological response of compounds 5(B), 5(C), 5(D), 5(G), 5(H), 5(I), and 5(J) was observed. Conclusion: As compared to conventional method, less time is required for the preparation of Thiazolidin- 4-one analogues by using advantageous microwave irradiation method. Thiazolidin-4-one derivatives showed improved biological activity.

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Reference:
Thiazolidine – Wikipedia,
,Thiazolidine – ScienceDirect.com

85-42-7, Name is Hexahydroisobenzofuran-1,3-dione, molecular formula is C8H10O3, belongs to thiazolidines compound, is a common compound. In a patnet, author is Constantin, Sandra Madalina, once mentioned the new application about 85-42-7, Quality Control of Hexahydroisobenzofuran-1,3-dione.

Formulation and Characterization of New Polymeric Systems Based on Chitosan and Xanthine Derivatives with Thiazolidin-4-One Scaffold

In the past many research studies have focused on the thiazolidine-4-one scaffold, due to the important biological effects associated with its heterocycle. This scaffold is present in the structure of many synthetic compounds, which showed significant biological effects such as antimicrobial, antifungal, antioxidant, anti-inflammatory, analgesic, antidiabetic effects. It was also identified in natural compounds, such as actithiazic acid, isolated from Streptomyces strains. Starting from this scaffold new xanthine derivatives have been synthetized and evaluated for their antibacterial and antifungal effects. The antibacterial action was investigated against Gram positive (Staphyloccoccus aureus ATCC 25923, Sarcina lutea ATCC 9341) and Gram negative (Escherichia coli ATCC 25922) bacterial strains. The antifungal potential was investigated against Candida spp. (Candida albicans ATCC 10231, Candida glabrata ATCC MYA 2950, Candida parapsilosis ATCC 22019). In order to improve the antimicrobial activity, the most active xanthine derivatives with thiazolidine-4-one scaffold (XTDs: 6c, 6e, 6f, 6k) were included in a chitosan based polymeric matrix (CS). The developed polymeric systems (CS-XTDs) were characterized in terms of morphological (aspect, particle size), physic-chemical properties (swelling degree), antibacterial and antifungal activities, toxicity, and biological functions (bioactive compounds loading, entrapment efficiency). The presence of xanthine-thiazolidine-4-one derivatives into the chitosan matrix was confirmed using Fourier transform infrared (FT-IR) analysis. The size of developed polymeric systems, CS-XTDs, ranged between 614 mu m and 855 mu m, in a dry state. The XTDs were encapsulated into the chitosan matrix with very good loading efficiency, the highest entrapment efficiency being recorded for CS-6k, which ranged between 87.86 +/- 1.25% and 93.91 +/- 1.41%, depending of the concentration of 6k. The CS-XTDs systems showed an improved antimicrobial effect with respect to the corresponding XTDs. Good results were obtained for CS-6f, for which the effects on Staphylococcus aureus ATCC 25923 (21.2 +/- 0.43 mm) and Sarcina lutea ATCC 9341 (25.1 +/- 0.28 mm) were comparable with those of ciprofloxacin (25.1 +/- 0.08 mm/25.0 +/- 0.1 mm), which were used as the control. The CS-6f showed a notable antifungal effect, especially on Candida parapsilosis ATCC 22019 (18.4 +/- 0.42 mm), the effect being comparable to those of nystatin (20.1 +/- 0.09 mm), used as the control. Based on the obtained results these polymeric systems, consisting of thiazolidine-4-one derivatives loaded with chitosan microparticles, could have important applications in the food field as multifunctional (antimicrobial, antifungal, antioxidant) packaging materials.

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Reference:
Thiazolidine – Wikipedia,
,Thiazolidine – ScienceDirect.com

Chemistry, like all the natural sciences, Category: thiazolidines, begins with the direct observation of nature¡ª in this case, of matter.99-86-5, Name is 1-Isopropyl-4-methylcyclohexa-1,3-diene, SMILES is CC(C)C1=CC=C(C)CC1, belongs to thiazolidines compound. In a document, author is Mendes, Camila P., introduce the new discover.

Insulin stimulus-secretion coupling is triggered by a novel thiazolidinedione/sulfonylurea hybrid in rat pancreatic islets

New compounds with promising antidiabetic activity were synthesized. For the first time, a portion of the glibenclamide molecule was bound to a part of the core structure of thiazolidinedione to evaluate insulin secretagogue activity. Following studies in our laboratory, 4-{2-[2-(3,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl}benzene-1-sulfonamide (DTEBS) was selected to evaluate glycemia using the glucose tolerance test and insulin secretagogue activity by E.L.I.S.A. The mechanism of action of this compound was studied by Ca-45(2+) influx and whole-cell patch-clamp in rat pancreatic isolated islets. Furthermore, AGE formation in vitro was investigated. We herein show that this novel hybrid compound (DTEBS) exhibits an insulinogenic index and a profile of serum insulin secretion able to maintain glucose homeostasis. Its mechanism of action is mediated by ATP-sensitive potassium channels (KATP) and L-type voltage-dependent calcium channels (VDCC) and by activating protein kinase C and A (PKC and PKA). In addition, the stimulatory action of the compound on calcium influx and insulin secretion indicates that the potentiation of voltage-sensitive K+ currents (Kv) is due to the repolarization phase of the action potential after secretagogue excitation-secretion in pancreatic islets. Furthermore, under these experimental conditions, the compound did not induce toxicity and the in vitro late response of the compound to protein glycation reinforces its use to prevent complications of diabetes. DTEBS exerts an insulin secretagogue effect by triggering KATP, VDCC, and Kv ionic currents, possibly via PKC and PKA pathway signal transduction, in beta-cells. Furthermore, DTEBS may hold potential for delaying the late complications of diabetes.

Note that a catalyst decreases the activation energy for both the forward and the reverse reactions and hence accelerates both the forward and the reverse reactions. you can also check out more blogs about 99-86-5. Category: thiazolidines.

Reference:
Thiazolidine – Wikipedia,
,Thiazolidine – ScienceDirect.com

Reference of 542-05-2, Children learn through play, and they learn more than adults might expect. Science experiments are a great way to spark their curiosity, 542-05-2, Name is 3-Oxopentanedioic acid, SMILES is O=C(CC(O)=O)CC(O)=O, belongs to thiazolidines compound. In a article, author is Saini, Anil, introduce new discover of the category.

SYNTHESIS OF SOME THIAZOLE CLUBBED HETEROCYCLES AS POSSIBLE ANTIMICROBIAL AND ANTHELMINTIC AGENTS

Present study describes synthesis and biological evaluation of five 5-((1-(4-(4-chlorophenyl)thiazol-2-yl)-3-aryl-1H-pyrazol-4-yl)methylene)-2-(aryllimino)thiazolidin-4-one derivatives as antiinfective agents. Synthesized compounds were screened for their in vitro antimicrobial activity against selected strains of bacteria such as B. subtilis (MTCC 121), S. aureus (MTCC 7443), E. coli (MTCC 40), P. fluorescens (MTCC 1748) and fungi namely C. albicans (MTCC 227), C. glabrata (MTCC3414). Anthehnintic studies were performed against Pheretima postuma (Indian earthworms). All the compounds exhibited moderate to significant antimicrobial activities with zone of inhibition ranging from 10-26 mm. Compound 5c was observed to be most potent antifungal agent against Candida albicans (ZOI 26 mm). Compound 5b exhibited the mean paralysis time of 24.2 +/- 0.9 minutes and mean death time 48.2 +/- 2.2 minutes and has depicted most potent anthelmintic activity. The results of the present investigation prove that the synthesized compounds have interesting antimicrobial and anthelmintic activity and are suitable candidates for further scientific exploration

Reference of 542-05-2, Each elementary reaction can be described in terms of its molecularity, the number of molecules that collide in that step. The slowest step in a reaction mechanism is the rate-determining step.you can also check out more blogs about 542-05-2.

Reference:
Thiazolidine – Wikipedia,
,Thiazolidine – ScienceDirect.com