Day: November 25, 2022

Qiu, Yunguang published the artcileTREK Channel Family Activator with a Well-Defined Structure-Activation Relationship for Pain and Neurogenic Inflammation, Synthetic Route of 92-36-4, the publication is Journal of Medicinal Chemistry (2020), 63(7), 3665-3677, database is CAplus and MEDLINE.

TWIK-related K⁺ (TREK) channels are potential analgesic targets. However, selective activators for TREK with both defined action mechanism and analgesic ability for chronic pain have been lacking. Here, we report (1S,3R)-3-((4-(6-methylbenzo[d]thiazol-2-yl)phenyl)carbamoyl)cyclopentane-1-carboxylic acid (C3001a), a selective activator for TREK, against other two-pore domain K⁺ (K2P) channels. C3001a binds to the cryptic binding site formed by P1 and TM4 in TREK-1, as suggested by computational modeling and exptl. anal. Furthermore, we identify the carboxyl group of C3001a as a structural determinant for binding to TREK-1/2 and the key residue that defines the subtype selectivity of C3001a. C3001a targets TREK channels in the peripheral nervous system to reduce the excitability of nociceptive neurons. In neuropathic pain, C3001a alleviated spontaneous pain and cold hyperalgesia. In a mouse model of acute pancreatitis, C3001a alleviated mech. allodynia and inflammation. Together, C3001a represents a lead compound which could advance the rational design of peripherally acting analgesics targeting K2P channels without opioid-like adverse effects.

Journal of Medicinal Chemistry published new progress about 92-36-4. 92-36-4 belongs to thiazole, auxiliary class Organic Pigment, name is 2-(4-Aminophenyl)-6-methylbenzothiazole, and the molecular formula is C14H12N2S, Synthetic Route of 92-36-4.

Referemce:
https://pubchem.ncbi.nlm.nih.gov/compound/thiazole,
Thiazole | chemical compound | Britannica

Tang, Yue published the artcileA facile colorimetric sensor for ultrasensitive and selective detection of Lead(II) in environmental and biological samples based on intrinsic peroxidase-mimic activity of WS₂ nanosheets, Computed Properties of 30931-67-0, the publication is Analytica Chimica Acta (2020), 115-125, database is CAplus and MEDLINE.

Two-dimensional layered WS₂ nanosheets with rich active edge exhibit intrinsic peroxidase-mimic activity, which make them an ideal material for sensor design. However, there is still lack of research on the catalysis and regulation mechanisms of the layered WS₂ nanosheets as well as their application in the detection of hazardous substances. Herein, the regulatory effect of Pb(II) on the peroxidase-mimic activity of the layered WS₂ nanosheets was firstly investigated, which enable us to construct a novel and facile colorimetric sensor for ultrasensitive and selective detection of Pb(II). To improve the performance of colorimetric sensor, some important parameters like buffer conditions, substrates and temperature have been investigated. Under the optimal conditions, the catalytic kinetics of layered WS₂ nanosheets were extensively investigated. The peroxidase-mimic catalytic reaction was proved to be the “ping pong” mechanism, and the regulatory effect of Pb(II) on layered WS₂ nanosheets was agreed with noncompetitive inhibition. The absorbance variation of colorimetric sensor is proportionally related to the concentration of heavy metals, which enable us to easily distinguish whether Pb(II) exceeds the permissible level in less than 20 min even by the naked eyes. The limit of detection (LOD) and the limit of quantification (LOQ) of the proposed colorimetric sensor for Pb(II) were determined as low as 4μg L^-1 and 13.3μg L^-1, and displays excellent selectivity against other competitive metal ions. Moreover, the further studies also validate the applicability of colorimetric sensor in several actual samples, indicating that our strategy may has prospective applications for Pb(II) detection in environment and biol. samples.

Analytica Chimica Acta published new progress about 30931-67-0. 30931-67-0 belongs to thiazole, auxiliary class Salt,Hydrazine,Amine,Benzothiazole, name is Ammonium 2,2′-(hydrazine-1,2-diylidene)bis(3-ethyl-2,3-dihydrobenzo[d]thiazole-6-sulfonate), and the molecular formula is C9H9ClN2, Computed Properties of 30931-67-0.

Referemce:
https://pubchem.ncbi.nlm.nih.gov/compound/thiazole,
Thiazole | chemical compound | Britannica

Chen, Xue-Ping published the artcileOrganocatalytic Asymmetric Synthesis of Benzothiazolopyrimidines via [4 + 2] Cyclization of 2-Benzothiazolimines and Aldehydes, Category: thiazole, the publication is Journal of Organic Chemistry (2021), 86(2), 1667-1675, database is CAplus and MEDLINE.

The direct asym. synthesis of pyrimido[2,1-b]benzothiazoles using a com. available chiral amine catalyst was reported. A variety of 2-benzothiazolimines and aldehydes were well tolerated under the reaction conditions and generated the corresponding products in 81-99% yields with excellent diastereoselectivities and enantioselectivities (up to >20:1 dr, 99% ee). Furthermore, the products could be easily converted to other useful chiral building blocks.

Journal of Organic Chemistry published new progress about 95-24-9. 95-24-9 belongs to thiazole, auxiliary class Organic Pigment, name is 6-Chlorobenzothiazol-2-ylamine, and the molecular formula is C7H5ClN2S, Category: thiazole.

Referemce:
https://pubchem.ncbi.nlm.nih.gov/compound/thiazole,
Thiazole | chemical compound | Britannica

Koohgard, Mehdi published the artcileARS-TiO₂ photocatalyzed direct functionalization of sp² C-H bonds toward thiocyanation and cyclization reactions under visible light, Related Products of thiazole, the publication is Catalysis Science & Technology (2020), 10(5), 1401-1407, database is CAplus.

An ARS-TiO₂ photocatalyst has been prepared by a simple method through stirring a mixture of ARS and TiO₂ at room temperature in the dark to extend the photocatalytic response of titanium dioxide toward the visible light spectrum. The synergic effect of ARS and TiO₂ in the photocatalyst system has catalyzed direct C-H functionalization of sp² C-H bonds toward thiocyanation and cyclization reactions. Several aromatic and heteroaromatic scaffolds (2-phenylamino-thiazoles I (R = H, 2-Cl, 4-Ph, etc.), phenols R¹OH (R¹ = Ph, 3-ethylphenyl, 2-formylphenyl, etc.), anilines R²C₆H₄N(R³)(R⁴) (R² = 2-Me, 3-Cl, 3-OMe, etc.; R³ = H, Me, Et, Ph; R⁴ = H, Me, Et), indoles II (R⁵ = H, Me; R⁶ = H, Me; R⁷ = H, 5-MeO, 6-methoxycarbonyl, 5-Br, 5-Me) and pyrroles such as 1H-pyrrole and 1-methyl-1H-pyrrole) were treated with the ammonium thiocyanate at room temperature Thiocyanation of phenol and synthesis of 2-aminobenzothiazole derivatives III (R⁸ = Me, I, prop-1-en-2-yl, etc.) under visible light are presented.

Catalysis Science & Technology published new progress about 95-24-9. 95-24-9 belongs to thiazole, auxiliary class Organic Pigment, name is 6-Chlorobenzothiazol-2-ylamine, and the molecular formula is C7H5ClN2S, Related Products of thiazole.

Referemce:
https://pubchem.ncbi.nlm.nih.gov/compound/thiazole,
Thiazole | chemical compound | Britannica

Baell, Jonathan B. published the artcileNew Substructure Filters for Removal of Pan Assay Interference Compounds (PAINS) from Screening Libraries and for Their Exclusion in Bioassays, SDS of cas: 5053-24-7, the publication is Journal of Medicinal Chemistry (2010), 53(7), 2719-2740, database is CAplus and MEDLINE.

This report describes a number of substructural features which can help to identify compounds that appear as frequent hitters (promiscuous compounds) in many biochem. high throughput screens. The compounds identified by such substructural features are not recognized by filters commonly used to identify reactive compounds Even though these substructural features were identified using only one assay detection technol., such compounds have been reported to be active from many different assays. In fact, these compounds are increasingly prevalent in the literature as potential starting points for further exploration, whereas they may not be.

Journal of Medicinal Chemistry published new progress about 5053-24-7. 5053-24-7 belongs to thiazole, auxiliary class Thiazole,sulfides, name is 2-(Methylthio)thiazole, and the molecular formula is C4H5NS2, SDS of cas: 5053-24-7.

Referemce:
https://pubchem.ncbi.nlm.nih.gov/compound/thiazole,
Thiazole | chemical compound | Britannica

Agarwal, Charu published the artcileLow-frequency, green sonoextraction of antioxidants from tree barks of Hungarian woodlands for potential food applications, Quality Control of 30931-67-0, the publication is Chemical Engineering and Processing (2021), 108221, database is CAplus.

The present work evaluates and compares the antioxidant capacities of bioactive constituents in the barks of ten common wood species from Hungary (Quercus rubra, Prunus serotina, Quercus robur, Betula pendula, Fraxinus excelsior, Robinia pseudoacacia, Carpinus betulus, Picea abies, Alnus glutinosa, Pinus sylvestris). Low-frequency ultrasound was used for intensification of extraction from the bark to obtain extracts rich in polyphenolic antioxidants with potential applications in the food industry. The extractions were carried out in different aqueous organic solvents- ethanol 80% and acetone 80% at optimized conditions. The overall antioxidant capacity of the extracts was estimated by the combined evaluation of Folin-Ciocalteu total phenol content (TPC), 2,2-diphenyl-1-picrylhydrazyl (DPPH), 2,2′-azino-bis (3-ethylbenzothiazoline-6-sulfonic acid) (ABTS) and ferric reducing ability of plasma (FRAP) assays using a scoring system. Aqueous ethanol had better extraction efficiency than aqueous acetone as a solvent medium. Of all the investigated species, Quercus robur showed the maximum antioxidant capacity with TPC of 105.88 ± 17.75 mg GAE/g dw, DPPH (IC₅₀) of 1.90 ± 0.10μg/mL, ABTS of 437.09 ± 36.22 mg TE/g dw and FRAP of 102.62 ± 8.69 mg AAE/g dw. The polyphenolic characterization of Quercus robur, Robinia pseudoacacia and Fraxinus excelsior was done by liquid chromatog./tandem mass spectrometry.

Chemical Engineering and Processing published new progress about 30931-67-0. 30931-67-0 belongs to thiazole, auxiliary class Salt,Hydrazine,Amine,Benzothiazole, name is Ammonium 2,2′-(hydrazine-1,2-diylidene)bis(3-ethyl-2,3-dihydrobenzo[d]thiazole-6-sulfonate), and the molecular formula is C18H24N6O6S4, Quality Control of 30931-67-0.

Referemce:
https://pubchem.ncbi.nlm.nih.gov/compound/thiazole,
Thiazole | chemical compound | Britannica

Gaikwad, Adwait published the artcileHydrogen-Bonded, Mechanically Strong Nanofibers with Tunable Antioxidant Activity, Category: thiazole, the publication is ACS Applied Materials & Interfaces (2020), 12(9), 11026-11035, database is CAplus and MEDLINE.

We report on mech. strong, water-insoluble hydrogen-bonded nanofiber mats composed of a hydrophilic polymer and a natural polyphenol that exhibit prolonged antioxidant activity. The high performance of fibrous mats resulted from the formation of a network of hydrogen bonds between a low-mol.-weight polyphenol (tannic acid, TA) and a water-soluble polymer (polyvinylpyrrolidone, PVP) and could be precisely controlled by the TA-to-PVP ratio. Dramatic enhancement (5- to 10-fold) in tensile strength, toughness, and Young’s moduli of the PVP/TA fiber mats (as compared to those of pristine PVP fibers) was achieved at the maximum d. of hydrogen bonds, which occurred at ∼0.2-0.4 M fractions of TA. The formation of hydrogen bonds was confirmed by an increase in the glass-transition temperature of the polymer after binding with TA. When exposed to water, the fibers exhibited composition- and pH-dependent stabilities, with the TA-enriched fibers fully preserving their integrity in acidic and neutral media. Importantly, the fiber mats exhibited strong antioxidant activity with dual (burst and prolonged) activity profiles, which could be controlled via fiber composition, a feature useful for controlling radical-scavenging rates in environmental and biol. applications.

ACS Applied Materials & Interfaces published new progress about 30931-67-0. 30931-67-0 belongs to thiazole, auxiliary class Salt,Hydrazine,Amine,Benzothiazole, name is Ammonium 2,2′-(hydrazine-1,2-diylidene)bis(3-ethyl-2,3-dihydrobenzo[d]thiazole-6-sulfonate), and the molecular formula is C18H24N6O6S4, Category: thiazole.

Referemce:
https://pubchem.ncbi.nlm.nih.gov/compound/thiazole,
Thiazole | chemical compound | Britannica

Miyasaka, Mitsuru published the artcilePalladium-catalyzed direct oxidative alkenylation of azoles, Application of 2-(Methylthio)thiazole, the publication is Journal of Organic Chemistry (2010), 75(15), 5421-5424, database is CAplus and MEDLINE.

The direct heteroaromatic sp² C-H alkenylation of 2-substituted azole compounds with alkenes proceeds in the presence of Pd(OAc)₂ and AgOAc as catalyst and oxidant, resp., to afford the corresponding 5-alkenylated azoles in good yields.

Journal of Organic Chemistry published new progress about 5053-24-7. 5053-24-7 belongs to thiazole, auxiliary class Thiazole,sulfides, name is 2-(Methylthio)thiazole, and the molecular formula is C4H5NS2, Application of 2-(Methylthio)thiazole.

Referemce:
https://pubchem.ncbi.nlm.nih.gov/compound/thiazole,
Thiazole | chemical compound | Britannica

Bentzien, Joerg published the artcileAn in Silico Method for Predicting Ames Activities of Primary Aromatic Amines by Calculating the Stabilities of Nitrenium Ions, COA of Formula: C14H12N2S, the publication is Journal of Chemical Information and Modeling (2010), 50(2), 274-297, database is CAplus and MEDLINE.

In this paper, the authors describe an in silico first principal approach to predict the mutagenic potential of primary aromatic amines. This approach is based on the so-called “nitrenium hypothesis”, which was developed by Ford et al. in the early 1990s. This hypothesis asserts that the mutagenic effect for this class of mols. is mediated through the transient formation of a nitrenium ion and that the stability of this cation is correlated with the mutagenic potential. Here the authors use quantum mech. calculations at different levels of theory (semiempirical AM1, ab initio HF/3-21G, HF/6-311G(d,p), and DFT/B3LYP/6-311G(d,p)) to compute the stability of nitrenium ions. When applied to a test set of 257 primary aromatic amines, the authors show that this method can correctly differentiate between Ames active and inactive compounds, and furthermore that it is able to rationalize and predict SAR trends within structurally related chem. series. For this test set, the AM1 nitrenium stability calculations are found to provide a good balance between speed and accuracy, resulting in an overall accuracy of 85%, and sensitivity and specificity of 91% and 72%, resp. The nitrenium-based predictions are also compared to the com. software packages DEREK, MULTICASE, and the MOE-Toxicophore descriptor. One advantage of the approach presented here is that the calculation of relative stabilities results in a continuous spectrum of activities and not a simple yes/no answer. This allows the authors to observe and rationalize subtle trends due to the different electrostatic properties of the organic mols. The authors’ results strongly indicate that nitrenium ion stability calculations should be used as a complementary approach to assist the medicinal chemist in prioritizing and selecting nonmutagenic primary aromatic amines during preclin. drug discovery programs.

Journal of Chemical Information and Modeling published new progress about 92-36-4. 92-36-4 belongs to thiazole, auxiliary class Organic Pigment, name is 2-(4-Aminophenyl)-6-methylbenzothiazole, and the molecular formula is C14H12N2S, COA of Formula: C14H12N2S.

Referemce:
https://pubchem.ncbi.nlm.nih.gov/compound/thiazole,
Thiazole | chemical compound | Britannica

Walker, Erin Joanne published the artcileTranscriptomic changes during TGF-β-mediated differentiation of airway fibroblasts to myofibroblasts, Computed Properties of 95-24-9, the publication is Scientific Reports (2019), 9(1), 20377, database is CAplus and MEDLINE.

In this study, we have used next generation sequencing to delineate changes in transcriptome induced by TGF-β treatment of WI-38 airway fibroblasts in both short term and after differentiation into myofibroblasts. The data obtained from RNAseq anal. was confirmed by quant. PCR and protein expression by western blotting. We found that genes coding for intermediates in TGF-β signalling pathways (SMADs) were differentially expressed after TGF-β treatment, SMAD2 being upregulated and SMAD3 being downregulated. Genes involved in cytoskeletal pathways (FN1, LAMA, ITGB1) were upregulated in myofibroblasts. Genes that were previously shown to be changed in asthmatic lungs (ADAMTS1, DSP, TIMPs, MMPs) were similarly differentially expressed in myofibroblasts, strongly suggesting that TGF-β mediated differentiation of fibroblasts to myofibroblasts may underlie important changes in the asthmatic airway. We also identified new intermediates of signalling pathways (PKB, PTEN) that are changed in myofibroblasts compared to fibroblasts. We have found a significant number of genes that are altered after TGF-β induced transdifferentiation of WI-38 fibroblasts into myofibroblasts, many of which were expected or predicted. We also identified novel genes and pathways that were affected after TGF-β treatment, suggesting addnl. pathways are activated during the transition between fibroblasts and myofibroblasts and may contribute to the asthma phenotype.

Scientific Reports published new progress about 95-24-9. 95-24-9 belongs to thiazole, auxiliary class Organic Pigment, name is 6-Chlorobenzothiazol-2-ylamine, and the molecular formula is C8H11NO, Computed Properties of 95-24-9.

Referemce:
https://pubchem.ncbi.nlm.nih.gov/compound/thiazole,
Thiazole | chemical compound | Britannica