Month: October 2022

Bogolubsky, Andrey V.; Moroz, Yurii S.; Savych, Olena; Pipko, Sergey; Konovets, Angelika; Platonov, Maxim O.; Vasylchenko, Oleksandr V.; Hurmach, Vasyl V.; Grygorenko, Oleksandr O. published the artcile< An Old Story in the Parallel Synthesis World: An Approach to Hydantoin Libraries>, SDS of cas: 324579-90-0, the main research area is hydantoin compound combinatorial synthesis Aurora kinase A inhibitor; 2,2,2-trifluoroethylcarbamates; amino esters; condensation; kinase inhibitors; nitrogen heterocycles.

An approach to the parallel synthesis of hydantoin libraries by reaction of in situ generated 2,2,2-trifluoroethylcarbamates and α-amino esters was developed. To demonstrate utility of the method, a library of 1158 hydantoins designed according to the lead-likeness criteria (MW 200-350, cLogP 1-3) was prepared The success rate of the method was analyzed as a function of physicochem. parameters of the products, and it was found that the method can be considered as a tool for lead-oriented synthesis. A hydantoin-bearing submicromolar primary hit acting as an Aurora kinase A inhibitor was discovered with a combination of rational design, parallel synthesis using the procedures developed, in silico and in vitro screenings.

ACS Combinatorial Science published new progress about Amidation. 324579-90-0 belongs to class thiazole, and the molecular formula is C6H8N2S, SDS of cas: 324579-90-0.

Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica

Mapesa, Emmanuel U.; Street, Dayton P.; Heres, Maximilian F.; Kilbey, S. Michael; Sangoro, Joshua published the artcile< Wetting and Chain Packing across Interfacial Zones Affect Distribution of Relaxations in Polymer and Polymer-Grafted Nanocomposites>, Category: thiazole, the main research area is wetting chain packing interface distribution PMMA silica graft nanocomposite.

Polymers exhibit deviations from their bulk phys. properties in the vicinity of solid interfaces due to changes in configurations, entanglements, and relaxation dynamics at the interfacial regions. By comparing grafted and nongrafted polymer nanocomposite systems based on poly(Me methacrylate) and silica, we show that the distribution of relaxation times exhibits both commonly reported slower mobility and faster modes that depend on the nature of the interfacial zone, matrix mol. weight, and loading level of nanomaterials. These findings are derived from studies using broadband dielec. spectroscopy (BDS) and differential scanning calorimetry (DSC) to probe mol. and interfacial dynamics. By systematically examining nanocomposites based on nonfunctionalized “”bare”” Si nanoparticles (NPs) dispersed in PMMA matrixes and on PMMA-grafted Si NPs (PMMA-g-NPs) in PMMA matrixes, we probe the effects of interfacial interactions and confinement in each of these cases on the glass transition temperature, Tg, the mean time scales, and spectral shapes of the dielec. relaxation. The faster relaxation modes are attributed to the increasing importance of chain wetting and packing in the interfacial zones around nanofillers, especially in the polymer-grafted system. These insights are used to generate a unifying mol. framework that explains the enhancement in numerous macroscopic phys. properties of polymer and polymer-grafted nanocomposites, which suits them for myriad applications.

Macromolecules (Washington, DC, United States) published new progress about Dielectric loss. 96-53-7 belongs to class thiazole, and the molecular formula is C3H5NS2, Category: thiazole.

Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica

Yamada, Shinji; Katsumata, Hiroko published the artcile< Asymmetric Acylation of sec-Alcohols with Twisted Amides Possessing Axial Chirality Induced by the Adjacent Asymmetric Center>, Quality Control of 171877-39-7, the main research area is asym acylation secondary alc twisted amide axial chirality; desymmetrization meso diols twisted amide axial chirality.

This paper reports that axially chiral twisted amides serve as asym. acylating agents for sec-alcs. under neutral conditions. Kinetic resolution of various racemic sec-alcs. and desymmetrization of 1,2-, 1,3-, and 1,4-meso-diols were performed by using the twisted amides. The utility of this desymmetrization method was shown by the preparation of the synthetic intermediate for macrolide antibiotic nodusmicin and 18-deoxynargenicin. The stereoselectivity of the acylation reactions is significantly dependent on the bulkiness of both the acyl group and the C-4 substituent of the chiral auxiliary. When an amide possessing an imidazolyl group at C-4 was employed, the stereoselectivity was reversed to give R esters. A possible working model of the acylation reaction is also described on the basis of the structural studies of the twisted amides by IR and 1H and 13C NMR spectroscopies and AM1 calculations These studies suggested a rotamer that is thermodynamically more stable than the others. This rotamer has an axial chirality about its C(O)-N linkage that is induced by the adjacent chiral center. This would enable discrimination of the two enantiomeric hydroxy groups of the racemic alcs. or meso-diols.

Journal of Organic Chemistry published new progress about Absolute configuration. 171877-39-7 belongs to class thiazole, and the molecular formula is C10H11NS2, Quality Control of 171877-39-7.

Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica

Carvalho, Mariele C.; Tomazini, Atilio; Prado, Rogilene A.; Viviani, Vadim R. published the artcile< Selective inhibition of Zophobas morio (Coleoptera: Tenebrionidae) luciferase-like enzyme luminescence by diclofenac and potential suitability for light-off biosensing>, Application In Synthesis of 2591-17-5, the main research area is diclofenac; luciferase-like enzyme; luminescence; toxicity.

The accumulation of toxic carboxylic compounds may cause severe effects on the environment and living organisms. A luciferase-like enzyme, previously cloned from the Malpighian tubules of the non-luminescent Zophobas morio mealworm, displays thioesterification activity with a wide range of carboxylic substrates, and produces weak red luminescence in the presence of ATP and firefly -luciferin, a xenobiotic for this organism. To better investigate the function of this enzyme in carboxylic xenobiotic detoxification, we analyzed the inhibitory effect of different xenobiotic carboxylic acids on the luminescence activity of this enzyme, including environmental pollutants and pharmaceutical compounds Noteworthy, the anti-inflammatory drug diclofenac severely inhibited this luciferase-like enzyme luminescence activity, both in in vitro (IC50 20 μM) and in vivo in bacterial cells assays, when compared with other beetle luciferases. Similar results were obtained with its brighter I327S mutant. Kinetic anal. of diclofenac′s effect on luminescence activity indicated mixed-type inhibition for both ATP and -luciferin. Modeling studies showed five potential binding sites for diclofenac, including the CoA binding site, which showed one of the highest binding constant Taken together, these results raise the possibility of using this luciferase-like enzyme for the development of novel whole-cell luminescent biosensors for diclofenac and similar drugs.

Luminescence published new progress about 2591-17-5. 2591-17-5 belongs to class thiazole, and the molecular formula is C11H8N2O3S2, Application In Synthesis of 2591-17-5.

Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica

Abas, Elisa; Pena-Martinez, Raquel; Aguirre-Ramirez, Diego; Rodriguez-Dieguez, Antonio; Laguna, Mariano; Grasa, Laura published the artcile< New selective thiolate gold(i) complexes inhibit the proliferation of different human cancer cells and induce apoptosis in primary cultures of mouse colon tumors>, Name: 4,5-Dihydrothiazole-2-thiol, the main research area is thiolate gold complex preparation cancer apoptosis thioredoxin reductase.

New thiolate gold(i) complexes with P(NMe2)3 (HMPT) as a phosphane group [Au(SR)(HMPT)] (SR = Spy, Spyrim, SMe2pyrim, Sbenzothiazole, Sthiazoline, Sbenzimidazole and 2-thiouracil) have been synthesized. All of them have been characterized, including X-ray studies of complexes with SMe2pyrim, Sbenzothiazole and 2-thiouracil moieties. In addition, their potential application as anticancer drugs has been analyzed by determining their pharmacokinetic activities (water solubility, cell permeability and BSA transport protein affinity). Based on the good results of these experiments, we carried out the studies of cell viability with our compounds on different cell lines (A2780, A2780R and Caco-2/TC7 cells), showing higher cytotoxic activity than cisplatin in all cases. Besides, two of the synthesized complexes with Sbenzimidazole and 2-thiouracil groups exhibit specific selectivity for cancerous Caco-2 cells and are considered as potential candidates for anticancer drugs. These complexes were able to induce a strong inhibition of the thioredoxin reductase (TrxR) protein and oxidative damage in membrane lipids. Addnl. studies in primary cultures of mouse colon tumors showed that these two complexes are proapoptotic upon exposure to phosphatidylserine. Based on our results, we conclude that two of our thiolate gold(I) complexes are good and effective candidates for use in chemotherapy.

Dalton Transactions published new progress about Antiproliferative agents. 96-53-7 belongs to class thiazole, and the molecular formula is C3H5NS2, Name: 4,5-Dihydrothiazole-2-thiol.

Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica

Augustin, J.; Drobnica, L.; Kristian, P. published the artcile< Antimicrobial activity of dithiocarbamates and other sulfur containing compounds>, HPLC of Formula: 10574-69-3, the main research area is sulfur compound ionization equilibrium microbicide; thiocarbamate ionization equilibrium microbicide.

The rate of decomposition of monothiocabamates, dithiocarbamates and their esters, and 3-substituted rhodanines in acidic, neutral, and alk. solutions was calculated from spectrophotometric measurements in absorption maximum in the UV region. Reactions were pH-dependent; thus, ionization equilibrium is involved in compound stability in solution and in their microbicidal activity, i.e., isothiocyanate formation.

Abhandlungen der Akademie der Wissenschaften der DDR, Abteilung Mathematik, Naturwissenschaften, Technik published new progress about Decomposition. 10574-69-3 belongs to class thiazole, and the molecular formula is C10H9NOS2, HPLC of Formula: 10574-69-3.

Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica

Widler, Leo; Jaeggi, Knut A.; Glatt, Markus; Mueller, Klaus; Bachmann, Rolf; Bisping, Michael; Born, Anne-Ruth; Cortesi, Reto; Guiglia, Gabriela; Jeker, Heidi; Klein, Remy; Ramseier, Ueli; Schmid, Johann; Schreiber, Gerard; Seltenmeyer, Yves; Green, Jonathan R. published the artcile< Highly Potent Geminal Bisphosphonates. From Pamidronate Disodium (Aredia) to Zoledronic Acid (Zometa)>, Recommanded Product: 5-Isopropylthiazol-2-amine, the main research area is bisphosphonate derivative preparation structure bone resorption inhibitor osteoporosis; hypercalcemia Paget’s metastasis osteolysis osteoporosis bisphosphonate derivative preparation.

Bisphosphonates (BPs) are pyrophosphate analogs in which the oxygen in P-O-P has been replaced by a carbon, resulting in a metabolically stable P-C-P structure. Pamidronate (1b, Novartis), a second-generation BP, was the starting point for extensive SAR studies. Small changes of the structure of pamidronate lead to marked improvements of the inhibition of osteoclastic resorption potency. Alendronate (1c, MSD), with an extra methylene group in the N-alkyl chain, and olpadronate (1h, Gador), the N,N-di-Me analog, are about 10 times more potent than pamidronate. Extending one of the N-Me groups of olpadronate to a pentyl substituent leads to ibandronate (1k, Roche, Boehringer-Mannheim), which is the most potent close analog of pamidronate. Even slightly better antiresorptive potency is achieved with derivatives having a Ph group linked via a short aliphatic tether of three to four atoms to nitrogen, the second substituent being preferentially a Me group (e.g., 4g, 4j, 5d, or 5r). The most potent BPs are found in the series containing a heteroaromatic moiety (with at least one nitrogen atom), which is linked via a single methylene group to the geminal bisphosphonate unit. Zoledronic acid (6i), the most potent derivative, has an ED50 of 0.07 mg/kg in the TPTX in vivo assay after s.c. administration. It not only shows by far the highest therapeutic ratio when comparing resorption inhibition with undesired inhibition of bone mineralization but also exhibits superior renal tolerability. Zoledronic acid (6i) has thus been selected for clin. development under the registered trade name Zometa. The results of the clin. trials indicate that low doses are both efficacious and safe for the treatment of tumor-induced hypercalcemia, Paget’s disease of bone, osteolytic metastases, and postmenopausal osteoporosis.

Journal of Medicinal Chemistry published new progress about Antiosteoporotic agents. 101080-15-3 belongs to class thiazole, and the molecular formula is C6H10N2S, Recommanded Product: 5-Isopropylthiazol-2-amine.

Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica

Lu, Zheng; Yang, Yong-Qing; Xiong, Weixiang published the artcile< Preparation of 1,3-Thiazolidine-2-thiones by Using Potassium Ethylxanthate as a Carbon Disulfide Surrogate>, Electric Literature of 171877-39-7, the main research area is thiazolidine thione preparation green chem; amino alc potassium ethylxanthate heterocyclization.

A simple procedure is presented for preparing 1,3-thiazolidine-2-thiones, e.g., I by using potassium ethylxanthate and the corresponding β-amino alcs. as the starting materials in the presence of ethanol.

Synlett published new progress about Amino alcohols Role: RCT (Reactant), RACT (Reactant or Reagent). 171877-39-7 belongs to class thiazole, and the molecular formula is C10H11NS2, Electric Literature of 171877-39-7.

Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica

Huang, Zhi-Xing; Yu, Jia-Hui; Xu, Xing-Jun; Xu, Xiao-Fang; Zeng, Ting; Lin, Jing; Chen, Wei-Min published the artcile< Cajaninstilbene acid analogues as novel quorum sensing and biofilm inhibitors of Pseudomonas aeruginosa>, HPLC of Formula: 1003-32-3, the main research area is Pseudomonas aeruginosa Cajaninstilbene acid analog quorum sensing biofilm inhibitor; Anti-Biofilm; Cajaninstilbene acid; Pseudomonas aeruginosa; Quorum sensing regulator.

Biofilm formation and virulence factor secretion in opportunistic pathogen Pseudomonas aeruginosa are essential for establishment of chronic and recurrent infection, which are regulated by quorum sensing (QS) system. In this study, a set of cajaninstilbene acid analogs were designed and synthesized, and their abilities to inhibit QS and biofilm formation were investigated. Among all the compounds, compounds 3g, 3m and 3o showed potent anti-biofilm activity, especially 3o exhibited promising biofilm inhibitory activity with biofilm inhibition ratio of 49.50 ± 1.35% at 50 μM. Three lacZ reporter strains were constructed to identify the effects of compound 3o on different QS systems. Compound 3o showed the suppression on the expression of lasB-lacZ and pqsA-lacZ as well as on the production of their corresponding virulence factors. Therefore, compound 3o is expected to be generated as a lead compound with inhibition of biofilm formation and QS of Pseudomonas aeruginosa.

Microbial Pathogenesis published new progress about Microbial gene, lacZ Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 1003-32-3 belongs to class thiazole, and the molecular formula is C4H3NOS, HPLC of Formula: 1003-32-3.

Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica

Cochrane, Stephen A.; Surgenor, Richard R.; Khey, Kevin M. W.; Vederas, John C. published the artcile< Total Synthesis and Stereochemical Assignment of the Antimicrobial Lipopeptide Cerexin A1>, Reference of 171877-39-7, the main research area is cerexin antimicrobial lipopeptide isolation total synthesis stereochem antibacterial.

The isolation and total synthesis of the antimicrobial lipopeptide cerexin A1 is reported. This synthesis includes the preparation of orthogonally protected γ-hydroxylysine, utilizing a nitrile Reformatsky-type reaction as a key step to yield both diastereomers more efficiently than previously reported methods. The configuration of the β-hydroxyl in the lipid tail was determined by the use of a modified Ohrui-Akasaka approach. Furthermore, new cerexin analogs from Bacillus mycoides ATCC 21929 were isolated and characterized, revealing an ε-amino succinylation of a hydroxylysine residue that is unusual in a nonribosomal peptide synthetase product.

Organic Letters published new progress about Absolute configuration. 171877-39-7 belongs to class thiazole, and the molecular formula is C10H11NS2, Reference of 171877-39-7.

Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica