Tag: M.W=100-150

Medina, Jose M.; Kang, Taeho; Erbay, Tugce G.; Shao, Huiling; Gallego, Gary M.; Yang, Shouliang; Tran-Dube, Michelle; Richardson, Paul F.; Derosa, Joseph; Helsel, Ryan T.; Patman, Ryan L.; Wang, Fen; Ashcroft, Christopher P.; Braganza, John F.; McAlpine, Indrawan; Liu, Peng; Engle, Keary M. published the artcile< Cu-Catalyzed Hydroboration of Benzylidenecyclopropanes: Reaction Optimization, (Hetero)Aryl Scope, and Origins of Pathway Selectivity>, Application of C4H3NOS, the main research area is benzylidenecyclopropane preparation copper catalyzed hydroboration diborane; cyclopropylboronic ester preparation reactivity; potential energy surface copper catalyzed hydroboration benzylidenecyclopropane; Copper catalysis; benzylidenecyclopropanes; cyclopropylboronic esters; heterocycles; hydroborations; β-carbon elimination.

The Cu-catalyzed hydroboration of benzylidenecyclopropanes, conveniently accessed in one step from readily available benzaldehydes, is reported. Under otherwise identical reaction conditions, two distinct phosphine ligands grant access to different products by either suppressing or promoting the cyclopropane opening via β-C elimination. Computational studies provide insight into how the rigidity and steric environment of these different bis-phosphine ligands influence the relative activation energies of β-C elimination vs. protodecupration from the key benzylcopper intermediate. The method tolerates a wide variety of heterocycles prevalent in clin. and preclin. drug development, giving access to valuable synthetic intermediates. The versatility of the tertiary cyclopropylboronic ester products is demonstrated through several derivatization reactions.

ACS Catalysis published new progress about Alkenes Role: PEP (Physical, Engineering or Chemical Process), PRP (Properties), RCT (Reactant), SPN (Synthetic Preparation), PROC (Process), RACT (Reactant or Reagent), PREP (Preparation) (benzylidenecyclopropanes). 1003-32-3 belongs to class thiazole, and the molecular formula is C4H3NOS, Application of C4H3NOS.

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

Bilchak, Connor R.; Jhalaria, Mayank; Adhikari, Sabin; Midya, Jiarul; Huang, Yucheng; Abbas, Zaid; Nikoubashman, Arash; Benicewicz, Brian C.; Rubinstein, Michael; Kumar, Sanat K. published the artcile< Understanding Gas Transport in Polymer-Grafted Nanoparticle Assemblies>, Formula: C3H5NS2, the main research area is gas transport polymer grafted nanoparticle.

We rationalize the unusual gas transport behavior of polymer-grafted nanoparticle (GNP) membranes. While gas permeabilities depend specifically on the chem. of the polymers considered, we focus here on permeabilities relative to the corresponding pure polymer, which show interesting, “”universal”” behavior. For a given NP radius, Rc, and for large enough areal grafting densities, σ, to be in the dense brush regime, we find that gas permeability enhancements display a maximum as a function of the graft chain mol. weight, Mn. Based on a recently proposed theory for the structure of a spherical brush in a melt of GNPs, we conjecture that this peak permeability occurs when the densely grafted polymer brush has the highest, packing-induced extension free energy per chain. The corresponding brush thickness is predicted to be hmax = sqr3Rc, independent of chain chem. and σ, i.e., at an apparently universal value of the NP volume fraction (or loading), ϕNP, ϕNP,max = [Rc/(Rc + hmax)]3 ≈ 0.049. Motivated by this conclusion, we measured CO2 and CH4 permeability enhancements across a variety of Rc, Mn, and σ and find that they behave in a similar manner when considered as a function of ϕNP, with a peak in the near vicinity of the predicted ϕNP,max. Thus, the chain length-dependent extension free energy appears to be the critical variable in determining the gas permeability for these hybrid materials. The emerging picture is that these curved polymer brushes, at high enough σ, behave akin to a two-layer transport medium-the region in the near vicinity of the NP surface is comprised of extended polymer chains that speed up gas transport relative to the unperturbed melt. The chain extension free energy increases with increasing chain length, up to a maximum, and apparently leads to an increasing gas permeability. For long enough grafts, there is an outer region of chain segments that is akin to an unperturbed melt with slow gas transport. The permeability maximum and decreasing permeability with increasing chain length then follow naturally.

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

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

Bonnevide, Marine; Jimenez, Andrew M.; Dhara, Deboleena; Phan, Trang N. T.; Malicki, Nicolas; Abbas, Zaid M.; Benicewicz, Brian; Kumar, Sanat K.; Couty, Marc; Gigmes, Didier; Jestin, Jacques published the artcile< Morphologies of Polyisoprene-Grafted Silica Nanoparticles in Model Elastomers>, Synthetic Route of 96-53-7, the main research area is morphol polyisoprene grafted silica nanoparticle model elastomer.

We control nanoparticle (NP) dispersion by leveraging the entropic and enthalpic effects associated with mixing silica NPs grafted with polyisoprene (PI) chains into matrixes of varying degrees of chem. dissimilarity. Previous work in this area has primarily focused on entropic factors alone, and hence, this work represents a significant advance over the current state-of-the-art. We show using a combination of transmission electron microscopy/small-angle X-ray scattering that mixing grafted particles with PI matrixes of identical microstructure yields dispersion states as found in the literature for such entropic systems. However, replacing the PI matrix chains with dissimilar matrixes leads to an introduction of enthalpic interactions that, in some cases, can drastically change the resulting morphol. In particular, while slightly different PI microstructures for the grafted and free chains only yield moderated differences, using styrene-butadiene copolymers as a matrix leads to a completely different behavior. In the last case, phase separation becomes more likely with the increasing graft length, while the PI system (whose behavior is dominated by entropic factors) shows the opposite behavior. Tuning the relative importance of enthalpic vs. entropic factors is thus another tool in controlling the self-assembled structure of NPs, which gives rise to enhanced macroscopic properties in the composite.

Macromolecules (Washington, DC, United States) published new progress about Agglomeration. 96-53-7 belongs to class thiazole, and the molecular formula is C3H5NS2, Synthetic Route of 96-53-7.

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

Hoseinzadeh, A. R.; Javadpour, S. published the artcile< Formulation of a smart nanocomposite coating with pH-responsive loaded halloysite and investigation of its anticorrosion behaviour>, Recommanded Product: 4,5-Dihydrothiazole-2-thiol, the main research area is ethylene acrylic acid copolymer halloysite nanocomposite anticorrosion property.

In this research study, halloysite nanotubes (HNTs) were applied as nanocontainers to encapsulate the synthesized 3,4′-dihydro-3-[2′-mercaptothiazolidine]indol-2-one (DMI) mols. for corrosion protection of carbon steel in a 3.5% NaCl solution Fourier transform IR anal. was used to prove the loading of HNTs with DMI. Poly(ethylene-co-acrylic acid) and branched polyethylenimine polyelectrolyte layers were deposited on the surface of DMI-loaded HNTs by a layer by layer (LbL) method. The LbL deposition technique was verified by a zeta potential test. Release of DMI corrosion inhibitors from HNTs in alk. pH was verified by using UV-visible spectroscopy results. Electrochem. impedance spectroscopy technique was applied to consider the anticorrosion ability of 1, 2.5 and 5 weight% DMI-loaded HNTs as smart epoxy coatings.

Bulletin of Materials Science published new progress about Anticorrosive coating materials. 96-53-7 belongs to class thiazole, and the molecular formula is C3H5NS2, Recommanded Product: 4,5-Dihydrothiazole-2-thiol.

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

Guimaraes, Daniel Silqueira Martins; Luz, Leticia Silveira de Sousa; Batista do Nascimento, Sara; Silva, Lorena Rabelo; Martins, Natalia Rezende de Miranda; Goncalves de Almeida, Heloisa; Reis, Vitoria de Souza; Maluf, Sarah El Chamy; Budu, Alexandre; Marinho, Juliane Aparecida; Abramo, Clarice; Carmona, Adriana Karaoglanovic; Goulart da Silva, Marina; Rodrigues da Silva, Gisele; Kemmer, Victor Matheus; Butera, Anna Paola; Ribeiro-Viana, Renato Marcio; Gazarini, Marcos Leoni; Nascimento, Clebio Soares Jr.; Guimaraes, Luciana; Vieira dos Santos, Fabio; Victor de Castro, Whocely; Viana, Gustavo Henrique Ribeiro; Alves de Brito, Cristiana Ferreira; Varotti, Fernando de Pilla published the artcile< Improvement of antimalarial activity of a 3-alkylpiridine alkaloid analog by replacing the pyridine ring to a thiazole-containing heterocycle: Mode of action, mutagenicity profile, and Caco-2 cell-based permeability>, Application In Synthesis of 96-53-7, the main research area is colorectal adenocarcinoma cell permeability mutagenicity alkylpiridine alkaloid analog antimalarial; 3-Alkylpyridine marine alkaloid analogs; Antiplasmodial activity; Ferriprotoporphyrin-IX; Malaria; Plasmodium falciparum; Thiazole.

The development of new antimalarial drugs is urgent to overcome the spread of resistance to the current treatment. Herein we synthesized the compound 3, a hit-to-lead optimization of a thiazole based on the most promising 3-alkylpyridine marine alkaloid analog. Compound 3 was tested against Plasmodium falciparum and has shown to be more potent than its precursor (IC50 values of 1.55 and 14.7μM, resp.), with higher selectivity index (74.7) for noncancerous human cell line. This compound was not mutagenic and showed genotoxicity only at concentrations four-fold higher than its IC50. Compound 3 was tested in vivo against Plasmodium berghei NK65 strain and inhibited the development of parasite at 50 mg/kg. In silico and UV-vis approaches determined that compound 3 acts impairing hemozoin crystallization and confocal microscopy experiments corroborate these findings as the compound was capable of diminishing food vacuole acidity. The assay of uptake using human intestinal Caco-2 cell line showed that compound 3 is absorbed similarly to chloroquine, a standard antimalarial agent. Therefore, we present here compound 3 as a potent new lead antimalarial compound

European Journal of Pharmaceutical Sciences published new progress about Antimalarials. 96-53-7 belongs to class thiazole, and the molecular formula is C3H5NS2, Application In Synthesis of 96-53-7.

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

Fereidoonnezhad, Masood; Ahmadi Mirsadeghi, Hasti; Abedanzadeh, Sedigheh; Yazdani, Alireza; Alamdarlou, Arsalan; Babaghasabha, Mojgan; Almansaf, Zainab; Faghih, Zeinab; McConnell, Zachary; Shahsavari, Hamid R.; Beyzavi, M. Hassan published the artcile< Synthesis and biological evaluation of thiolate gold(I) complexes as thioredoxin reductase (TrxR) and glutathione reductase (GR) inhibitors>, COA of Formula: C3H5NS2, the main research area is gold thiolate complex preparation antitumor thioredoxin glutathione reductase; crystal structure gold thiolate complex.

New gold(I) thiolate complexes [(PPh2py)Au(SR)] (PPh2py = 2-(diphenylphosphino)pyridine and SR = the deprotonated form of pyridine-2-thiol (HSpy, 1a), pyrimidine-2 thiol (HSpyN, 1b), benzothiazole-2-thiol (HSbt, 1c) and 2-thiazoline-2-thiol (HSt, 1d)) were prepared by the reaction of chloro gold complex [(PPh2py)AuCl], A, with the corresponding in situ generated thiolate salt (through a nucleophilic substitution reaction) under inert conditions. All complexes were characterized by NMR spectroscopy and the structures of 1b and 1d were further identified by single crystal x-ray determination An in vitro cytotoxicity evaluation against five human cancer cell lines including A549 (nonsmall cell lung cancer), SKOV3 (human ovarian cancer), MCF-7 (human breast cancer), SW1116 (colon cancer) and HeLa (cervical cancer) demonstrated the promising antitumor effects of 1b in comparison with standard auranofin and cisplatin. The effects of these compounds on the proliferation of nontumoral breast cell line MCF-12A showed good selectivity among tumorigenic and nontumorigenic cell lines. 1B effectively produces cell death by inducing apoptosis in the MCF-7 human breast cancer cell line. These complexes inhibit both cytosolic (TrxR1) and mitochondrial (TrxR2) thioredoxin reductases as well as glutathione reductase (GR).

New Journal of Chemistry published new progress about Colon neoplasm. 96-53-7 belongs to class thiazole, and the molecular formula is C3H5NS2, COA of Formula: C3H5NS2.

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

Khan, Muhammad Amir; Ali, Shaukat; Shamim, Sumbul; Ahmed, Nazia; Hussain, Mushtaq; Farooq, Saba; Khan, Sadaf published the artcile< Antimicrobial and synergistic activity of thiazoline derivatives in combination with conventional antibiotics against multidrug resistant Staphylococcus aureus isolated from abscess drainage samples>, Product Details of C3H5NS2, the main research area is staphylococcus aureus thiazoline antimicrobial drainage sample.

Emergence and spread of multidrug resistant (MDR) Staphylococcus aureus strains is becoming major challenge in treatment of soft tissue infections. This study aimed to explore antimicrobial and synergistic antimicrobial potential of three com. available thiazoline derivatives (2-amino-2-thiazoline, 2-thiazoline-2-thiol and 2-acetyl-2-thiazoline) against MDR Staphylococcus aureus strains isolated from abscess drainage samples (n = 20). MDR Staphylococcus aureus isolates were identified by Kirby-Bauer disk diffusion assay and were further subjected to mol. identification by 16srRNA amplification and DNA sequencing. Min. Inhibitory Concentration (MIC) values of test compounds and antibiotics (0.25-512μg/mL) were measured and subsequently, synergism assay was performed to calculate Fractional Inhibitory Concentration (FIC) index. Out of twenty Staphylococcus aureus isolates, sixteen (80%) were found to be MDR whereas four (20%) were Non-MDR. Moxifloxacin and vancomycine were found most effective antibiotics, inhibiting 100% (n = 20) and 95% (n = 19) strains resp. Antimicrobial activity of 2-amino-2-thiazoline (MIC: 32μg/mL), 2-thiazoline-2-thiol (MIC: 64μg/mL) and 2-acetyl-2-thiazoline (MIC: 32μg/mL) was found significant against all ten tested MDR strains. Synergistic combinations of thiazoline derivatives with test antibiotics reduced MIC values significantly. Therefore, combination of tested thiazoline derivatives with antibiotics could be used as alternative therapeutic approach to treat soft tissue infections caused by MDR Staphylococcus aureus after further pre-clin. and clin. studies.

Pakistan Journal of Pharmaceutical Sciences published new progress about 16S rRNA Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 96-53-7 belongs to class thiazole, and the molecular formula is C3H5NS2, Product Details of C3H5NS2.

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

Ulven, Elisabeth Rexen; Quon, Tezz; Sergeev, Eugenia; Barki, Natasja; Brvar, Matjaz; Hudson, Brian D.; Dutta, Palash; Hansen, Anders Hoejgaard; Bielefeldt, Line Oe.; Tobin, Andrew B.; McKenzie, Christine J.; Milligan, Graeme; Ulven, Trond published the artcile< Structure-Activity Relationship Studies of Tetrahydroquinolone Free Fatty Acid Receptor 3 Modulators>, COA of Formula: C4H3NOS, the main research area is fatty acid receptor FFAR3 tetrahydroquinolone allosteric modulator.

Free fatty acid receptor 3 (FFA3, previously GPR41) is activated by short-chain fatty acids, mediates health effects of the gut microbiota, and is a therapeutic target for metabolic and inflammatory diseases. The shortage of well-characterized tool compounds has however impeded progress. Herein, we report structure-activity relationship of an allosteric modulator series and characterization of physicochem. and pharmacokinetic properties of selected compounds, including previous and new tools. Two representatives, 57 (TUG-1907) and 63 (TUG-2015), showed improved solubility and preserved potency. Of these, 57, with EC50 = 145 nM and a solubility of 33μM, showed high clearance in vivo but is a preferred tool in vitro. In contrast, 63, with EC50 = 162 nM and a solubility of 9μM, showed lower clearance and seems better suited for in vivo studies. Using 57, we demonstrate for the first time that FFA3 activation leads to calcium mobilization in murine dorsal root ganglia.

Journal of Medicinal Chemistry published new progress about Allosteric modulators. 1003-32-3 belongs to class thiazole, and the molecular formula is C4H3NOS, COA of Formula: C4H3NOS.

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

Zhang, Min; Fan, Shiyong; Zhou, Xinbo; Xie, Fei; Li, Song; Zhong, Wu published the artcile< Design, synthesis and biological evaluation of 2-hydrazinyladenosine derivatives as A2A adenosine receptor ligands>, Recommanded Product: Thiazole-5-carboxyaldehyde, the main research area is hydrazinyladenosine human adenosine receptor G protein; mol docking adenosine receptor ligand hydrazinyladenosine synthesis nucleoside; A(2A) agonist; Fragment-based drug design; G protein-coupled receptors.

To obtain potential A2A adenosine receptor agonists, a series of 2-hydrazinyladenosine derivatives were synthesized and assayed for adenosine receptors activity using radioligand binding activity assays. The binding activity of the subtypes was examined, and the structure-activity relationship of this class of compounds at the A2A receptor was investigated. A fragment-based computer-aided design method was used to modify the 2-position side chain structures with different structural fragments, and the newly generated mols. were docked to the A2A receptor to assess scoring and screening activity. To synthesize compounds with better scoring activity, the newly synthesized compounds were tested for in vitro receptor binding activity. 2-Hydrazinyladenosine derivatives of 32 new structural types were designed and synthesized, with the most potent adenosine derivative I exhibiting a Ki value of 1.8 nM for A2AAR and significant selectivity for the A2A receptor compared to the A1 receptor. In addition to, other compounds also exhibited potent A2A receptor selectivity, with Ki values for the A2A receptor of 6.4, 20, 67 and 6.3 nM, resp. We also found that compound II has a high A1 receptor selectivity, with a Ki value for the A1 receptor of 4.5 nM. Further functional assays also demonstrated that these compounds have potent A2A receptor agonist activity. The study shows the applicability of an in silico fragment-based mol. design for rational lead optimization in A2AAR.

European Journal of Medicinal Chemistry published new progress about Adenosine A1 receptors Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 1003-32-3 belongs to class thiazole, and the molecular formula is C4H3NOS, Recommanded Product: Thiazole-5-carboxyaldehyde.

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

Chadha, Ridhima; Das, Abhishek; Kapoor, Sudhir; Maiti, Nandita published the artcile< Surface-induced dimerization of 2-thiazoline-2-thiol on silver and gold nanoparticles: A surface enhanced Raman scattering (SERS) and density functional theoretical (DFT) study>, SDS of cas: 96-53-7, the main research area is surface induced dimerization silver gold nanoparticles enhanced Raman scattering.

The adsorption behavior of an anti-thyroid agent, 2-thiazoline-2-thiol (TT) on silver (Ag) and gold (Au) nanoparticles (NPs) was studied using surface enhanced Raman scattering (SERS) and d. functional theory (DFT). The tautomers of TT involved in the surface adsorption processes were identified. Raman scattering studies indicated the predominance of the thione form in solid and the thiol tautomer in aqueous solution SERS studies of TT functionalized Ag (TT-Ag) and Au NPs (TT-Au) showed maximum enhancement for 1μM concentration, suggesting monolayer coverage. Surface induced dimerization of TT was evident from SERS and DFT. The appearance of prominent peaks at 484 (S-S stretch) and 317 (CSS bend) cm-1 for TT-Ag revealed the formation of disulfide dimer, while the emergence of a distinct band at 2124 cm-1 (H-bonded S-H stretch) for TT-Au indicated the development of H-bonded dimer. Thus, in the present study, selective formation of disulfide dimer and the H-bonded dimer was observed on the surface of Ag and Au NPs, resp. In Inaddn., the thiol tautomer was found to be exclusively bound to the metal surface, via the thiazoline ring N atom. In this work, a qual. relation between the strength of TT-metal charge transfer complex and inter-mol. association of TT on the surface of metal NPs was established. This study, thus paves the way for designing novel metal nanosubstrates that can be exploited for studying interesting surface phenomenon, viz. surface induced dimerization or rearrangement reactions, surface catalysis, etc. as well as for designing valuable drugs suitable for chelation therapy.

Journal of Molecular Liquids published new progress about Adsorption. 96-53-7 belongs to class thiazole, and the molecular formula is C3H5NS2, SDS of cas: 96-53-7.

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