Category: 96-53-7

Vafina, G. F.; Guryanova, T. S. published the artcile< Synthesis of S-Containing Maleopimaric Acid Derivatives>, Related Products of 96-53-7, the main research area is maleopimaric acid thio analog preparation.

New S-containing maleopimaric acid derivatives were synthesized. The structures of all synthesized compounds were elucidated using NMR spectroscopy and elemental analyses.

Chemistry of Natural Compounds published new progress about Diterpenes Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 96-53-7 belongs to class thiazole, and the molecular formula is C3H5NS2, Related Products of 96-53-7.

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

Marwaha, Tejinder Kaur; Madgulkar, Ashwini; Bhalekar, Mangesh; Asgaonkar, Kalyani published the artcile< Molecular docking, synthesis, and characterization of chitosan-graft-2-mercaptobenzoic acid derivative as potential drug carrier>, COA of Formula: C3H5NS2, the main research area is docking chitosan mercaptobenzoic acid derivative drug carrier.

Chitosan is a hydrophilic polymer with prominent mucoadhesive properties. However, it forms weak hydrogen bonds with mucin thus limiting its mucoadhesion and exhibit reduced bioavailability due to its short retention time in the body. The aim of the present study was to synthesize and characterize novel thiolated chitosan with improved functional property. A unique approach of using mol. docking to select ligand to chem. modify chitosan has been employed in the present research. A set of ligands were screened virtually using docking anal. and 2-mercapto benzoic acid showed the lowest glide score of -4.31 Kcal/Mol thus displayed better binding interaction with chitosan. Based on the docking results, the best-fit ligand was selected for wet laboratory synthesis. 2-Mercapto benzoic acid was covalently attached to chitosan via formation of an amide bond and the reaction was mediated by carbodiimide and N-hydroxysuccinimide. The synthesized polymer was in turn evaluated for zeta potential, Fourier transformed IR, differential scanning calorimetry, mol. weight that confirmed conjugation of chitosan with the thiol ligand. The prepared thiomer was further subjected to mucoadhesion studies and displayed better mucoadhesion properties as compared to unmodified chitosan. Thus, the potential of the novel thiomer can be further explored as an excipient for drug delivery system with an emphasis on mucoadhesion.

Journal of Applied Polymer Science published new progress about Differential scanning calorimetry. 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

Zhao, Shenghao; Pang, Kaining; Huang, Yaning; Xiao, Ning published the artcile< Special electrochemical behaviour of sodium thiazolinyl-dithiopropane sulphonate during microvia filling>, Electric Literature of 96-53-7, the main research area is sodium thiazolinyl dithiopropane sulfonate microvia filling.

In this work, galvanostatic measurements were employed to study the electrochem. behavior of thiazolinyl-dithiopropane sulfonate (SH110) in a copper plating process, which indicated that it had a critical concentration of 12.5 mg L-1. At this critical concentration, it would accelerate copper deposition at strong forced convection but inhibit copper deposition at weak forced convection. To get more insight into SH110, its potential decomposition products, 3-mercapto-1-propanesulfonate (MPS) and 2-thiazoline-2-thiol (H1), were also investigated. It was found that MPS always presented an acceleration effect with its concentration increasing, whereas H1, with a simple mol. structure, also had a critical concentration, which was 1.25 mg L-1. As expected, superfilling can be achieved by using H1 as the single additive. Finally, the interaction between SH110 and H1 was studied to prove the decomposition of SH110, as well as to illustrate its action mechanism.

Transactions of the IMF published new progress about Decomposition. 96-53-7 belongs to class thiazole, and the molecular formula is C3H5NS2, Electric Literature of 96-53-7.

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

Owczarzak, Agata; Dutkiewicz, Zbigniew; Kurczab, Rafal; Pietrus, Wojciech; Kubicki, Maciej; Grzeskiewicz, Anita M. published the artcile< Role of Staple Molecules in the Formation of S···S Contact in Thioamides: Experimental Charge Density and Theoretical Studies>, Formula: C3H5NS2, the main research area is thioamide contact staple mol.

The reasons behind the formation of S···S contacts in thioamides, the most important compounds with terminal sulfur atoms, were investigated by means of exptl. charge d. studies and theor. calculations As this interaction is to some extent similar to the much better-known halogen bond, geometrical anal. was performed using previously determined halogen bond formation criteria. To investigate the most representative thioamides, three compounds, namely, 6-aminothiouracil hydrate (ATU·H2O, 1), imidazolinethione (IMT, 2) and thiazolidinethione (TT, 3), were selected. In all three structures, relatively short S···S contacts displaying different geometries were observed Furthermore, different symmetry elements (mirror plane in ATU, inversion center in TT, and translation in IMT) determined the mutual orientation of the sulfur atoms in contact. The structural anal. and calculations proved that the isolated S•••S dimers are unstable and that they are stabilized by “”staple”” mols., which are any mols. present in the crystal structure that interact with both mols. forming the S···S contact. Several types of staple mols. were identified, differing in the area of interaction with the S···S dimer mol. The anal. of the data in the Cambridge Structural Database showed that the staple structures can be found in 77% of all structures with short S···S contacts (shorter than 3.4 Å) and in more than half of the structures with the contacts within the van der Waals radius limit. The calculations show that the smaller the distance between sulfur atoms in the S···S dimer, the greater the amount of energy needed for dimer stabilization. Consequently, the presence of a staple is essential.

Crystal Growth & Design published new progress about Bader electron density. 96-53-7 belongs to class thiazole, and the molecular formula is C3H5NS2, Formula: C3H5NS2.

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

Fujimoto, Shota; Muguruma, Naoki; Nakao, Michiyasu; Ando, Hidenori; Kashihara, Takanori; Miyamoto, Yoshihiko; Okamoto, Koichi; Sano, Shigeki; Ishida, Tatsuhiro; Sato, Yasushi; Takayama, Tetsuji published the artcile< Indocyanine green-labeled dasatinib as a new fluorescent probe for molecular imaging of gastrointestinal stromal tumors>, SDS of cas: 96-53-7, the main research area is indocyanine dasatinib fluorescent probe mol imaging gastrointestinal stromal tumor; c-KIT; dasatinib; fluorescence imaging; gastrointestinal stromal tumor (GIST); indocyanine green (ICG); near-infrared (NIR).

It is difficult to differentiate gastrointestinal stromal tumors (GISTs) from other subepithelial lesions under gastrointestinal endoscopy. Because most GISTs express tyrosine kinase receptor c-KIT, fluorescence-labeled c-KIT-specific tyrosine kinase inhibitors seem to be useful agents for mol. imaging of GIST. We aimed to develop a near-IR fluorescent imaging technol. for GIST targeting c-KIT using the novel fluorescent probe indocyanine green-labeled dasatinib (ICG-dasatinib) and to investigate the antitumor effect of ICG-dasatinib on GIST cells. Indocyanine green-labeled dasatinib was synthesized by labeling linker-induced dasatinib with ICG derivative 3-indocyanine-green-acyl-1,3-thiazolidine-2-thione. Human GIST cell lines GIST-T1 and GIST-882M were incubated with ICG-dasatinib and observed by fluorescent microscopy. GIST cells were incubated with ICG-dasatinib, unlabeled dasatinib, or imatinib, and cell viabilities were evaluated. S.c. GIST model mice or orthotopic GIST model rats were i.v. injected with ICG-dasatinib and observed using an IVIS Spectrum. Strong fluorescent signals of ICG-dasatinib were observed in both GIST cell lines in vitro. IC50 values for ICG-dasatinib, unlabeled dasatinib, and imatinib were 13.9, 1.17, and 16.2 nM in GIST-T1 and 26.6, 3.63, and 47.6 nM in GIST-882M cells, resp. ICG-dasatinib accumulated in s.c. xenografts in mice. Fluorescent signals were also observed in liver and gallbladder, indicating biliary excretion; however, fluorescence intensity of tumors was significantly higher than that of intestine after washing. Strong fluorescent signals were observed in orthotopic xenografts through the covering normal mucosa in rats. Indocyanine green-labeled dasatinib could visualize GIST cells and xenografted tumors. The antitumor effect of ICG-dasatinib was preserved to the same degree as imatinib.

Journal of Gastroenterology and Hepatology published new progress about Absorption. 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

Kennington, Stuart C. D.; Taylor, Adam J.; Romea, Pedro; Urpi, Felix; Aullon, Gabriel; Font-Bardia, Merce; Ferre, Laura; Rodrigalvarez, Jesus published the artcile< Direct and Asymmetric Nickel(II)-Catalyzed Construction of Carbon-Carbon Bonds from N-Acyl Thiazinanethiones>, Electric Literature of 96-53-7, the main research area is asym nickel catalyzed carbon bond acyl thiazinanethione; peperomin D total synthesis; dimethoxyphenyl methylphenylethyl propanamide preparation crystal mol structure.

A wide array of new N-acyl thiazinanethiones are employed in a number of direct and enantioselective carbon-carbon-bond-forming reactions catalyzed by nickel(II) complexes. The electrophilic species are mostly prepared in situ from ortho esters, Me ethers, acetals, and ketals, which makes the overall process highly efficient and exptl. straightforward. Theor. calculations indicate that the reactions proceed through an open transition state in a SN1-like mechanism. The utility of this novel procedure has been demonstrated by the asym. preparation of synthetically useful intermediates and the total synthesis of peperomin D.

Organic Letters published new progress about C-C bond formation (enantioselective). 96-53-7 belongs to class thiazole, and the molecular formula is C3H5NS2, Electric Literature of 96-53-7.

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

Zou, Luyi; Zhang, Xiaoyue; Shao, Mingying; Sun, Ruirui; Zhu, Yuting; Zou, Binbin; Huang, Zhenxing; Liu, He; Teng, Yue published the artcile< A biophysical probe on the binding of 2-mercaptothioazoline to bovine hemoglobin>, Application In Synthesis of 96-53-7, the main research area is mercaptothioazoline bovine Hb physiol function; 2-Mercaptothioazoline; Binding interaction; Conformation investigation; Hemoglobin; Molecular modeling; Spectroscopic studies.

2-Mercaptothiazoline (MTZ) is broadly present in daily use as an antifungal reagent, a brightening agent, and a corrosion inhibitor. MTZ is potentially harmful for human health. Although the toxic effects of MTZ on exptl. animals have been reported, the effects of MTZ on the proteins in the circulatory system at the mol. level have not been identified previously. Here, we explored the interaction of MTZ with bovine Hb (BHb) in vitro using multiple spectroscopic techniques and mol. docking. In this study, the binding capacity, acting force, binding sites, mol. docking simulation, and conformational changes were investigated. MTZ quenched the intrinsic emission of BHb via the static quenching process and could spontaneously bind with BHb mainly through van der Waals forces and hydrogen bond. The computational docking visualized that MTZ bound to the β2 subunit of BHb, which further led to some changes of the skeleton and secondary structure of BHb. This research provides valuable information about the mol. mechanisms on BHb induced by MTZ and is beneficial for clarifying the toxicol. actions of MTZ in blood.

Environmental Science and Pollution Research published new progress about Absorption. 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

Wang, Jing; Jiang, Huihui; Liu, Hai-Bo; Liang, Lebao; Tao, Junrong published the artcile< Pyrene-imidazole conjugate as a fluorescent sensor for the sequential detection of iron(III) and histidine in aqueous solution>, Related Products of 96-53-7, the main research area is pyrene imidazole conjugate fluorescent sensor iron histidine; Ensemble; Fe(3+) ions; Histidine; Imidazole; Pyrene; Structure-activity relationships.

We developed PIM (I), a pyrene-based fluorescence sensor bearing an imidazole moiety and a carbonyl group as the binding sites for Fe3+ ions. The pyrene-based control compounds 1 and 2 were synthesized to demonstrate the structure-activity relationships. Compound 1 (II), which contained a thiazoline moiety and a carbonyl group, displayed high selectivity for Cu2+ ions. This property indicated that heterocycles play an important role in the metal ion selectivity modulation. Compound 2 (III), which lacked a carbonyl group, did not display metal ion selectivity. This characteristic demonstrated that introducing an addnl. recognition unit (cooperative recognition strategy) should be an effective way to improve metal ion selectivity. Furthermore, the PIM-Fe3+ ensemble can serve as a fluorescent sensor for histidine (His) detection via the removal of Fe3+ from the ensemble by His and the release of PIM. The sequential detection of Fe3+ and His exhibited on-off-on phenomenon, and the Fe3+ and His detection limits were 0.11 and 3.06 μM, resp. These results will help in the further enhancement or modulation of metal ion selectivity in the development of fluorescent sensor systems. Moreover, the organic-metal ensemble provides an effective platform for detecting amino acids through the displacement strategy.

Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy published new progress about Drinking waters (sample). 96-53-7 belongs to class thiazole, and the molecular formula is C3H5NS2, Related Products of 96-53-7.

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

Hoseinzadeh, A. R.; Javadpour, S. published the artcile< Electrochemical, thermodynamic and theoretical study on anticorrosion performance of a novel organic corrosion inhibitor in 3.5% NaCl solution for carbon steel>, SDS of cas: 96-53-7, the main research area is carbon steel sodium chloride corrosion inhibitor electrochem anticorrosion property.

The theor. and electrochem. performance of a novel organic corrosion inhibitor 3,4-dihydro-3-[2-mercaptothiazolidine]indol-2-one (DMI), for API 5L Grade B carbon steel in 3.5% NaCl, was evaluated by potentiodynamic polarization (Tafel), electrochem. impedance spectroscopy (EIS) and d. functional theory (DFT) for quantum chem. studies. Potentiodynamic studies confirmed that DMI was a mixed organic corrosion inhibitor type which specially affects the cathodic branch. The inhibition efficiencies of reactants, DMI and acetylcysteine followed the following order at 25oC and 200 ppm: DMI (87%) > isatin (71%) > 2-thiazoline-2-thiol (62%) > acetylcysteine (54%). EIS measurements illustrated the charge transfer controlled corrosion process. The Langmuir adsorption isotherm model of DMI was adopted. Surface studies were performed using SEM. Activation and adsorption thermodn. parameters of DMI were computed. The magnitude of ΔGoads and the sign of ΔHoads concluded that the adsorption occurred through chemisorption. Quantum chem. calculations of four corrosion inhibitors were used for investigating the mol. structure effect on inhibition efficiency.

Bulletin of Materials Science 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

Pola, Robert; Kral, Vlastimil; Filippov, Sergey K.; Kaberov, Leonid; Etrych, Tomas; Sieglova, Irena; Sedlacek, Juraj; Fabry, Milan; Pechar, Michal published the artcile< Polymer Cancerostatics Targeted by Recombinant Antibody Fragments to GD2-Positive Tumor Cells>, SDS of cas: 96-53-7, the main research area is polymer tumor targeting antibody ganglioside GD2.

A water-soluble polymer cancerostatic actively targeted against cancer cells expressing a disialoganglioside antigen GD2 was designed, synthesized and characterized. A polymer conjugate of an antitumor drug doxorubicin with a N-(2-hydroxypropyl)methacrylamide-based copolymer was specifically targeted against GD2 antigen-pos. tumor cells using a recombinant single chain fragment (scFv) of an anti-GD2 monoclonal antibody. The targeting protein ligand was attached to the polymer-drug conjugate either via a covalent bond between the amino groups of the protein using a traditional nonspecific aminolytic reaction with a reactive polymer precursor or via a noncovalent but highly specific interaction between bungarotoxin covalently linked to the polymer and the recombinant scFv modified with a C-terminal bungarotoxin-binding peptide. The GD2 antigen binding activity and GD2-specific cytotoxicity of the targeted noncovalent polymer-scFv complex proved to be superior to the covalent polymer-scFv conjugate.

Biomacromolecules published new progress about Antibody-drug conjugates. 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