Category: 1468-83-3

Acharjee, Binkey published the artcileSynthesis, characterization and in vitro evaluation of 3-(4-(methylthio)phenyl)-1-(thiophene-3-yl)prop-2-en-1-one, Product Details of C6H6OS, the main research area is methylthiophenyl thiophenyl propanone chalcone reaction.

In present study, a novel 3-(4-(methylthio)phenyl)-1-(thiophene-3-yl)prop-2-en-1-one (1) was synthesized through the chalcone reaction. The FT-IR, 1H & 13C NMR and mass anal., UV-visible and fluorescent spectroscopic system were utilized to characterize the synthesized compound The charge d. data was used to explain the characteristics of mol. systems. In addition, in the form of the complete and partial d. of states, the HOMO-LUMO energy gap and electrostatic potential map, etc. and some quantum chem. insights have been obtained. Furthermore, to demonstrate the possible applications of thiophene-chalcone derivative (1) in nonlinear optics, the polarizability and first hyperpolarizability were measured. Mol. docking studies were also conducted in order to illustrate the over expression of estrogen receptor in 75% of 5J6A protein. The novel compound was tested for its anticancer and antioxidant activities of in vitro analyses. The substantial antioxidant activity was demonstrated by the newly synthesized compound 1.

Asian Journal of Chemistry published new progress about Antioxidants. 1468-83-3 belongs to class benzothiophene, name is 3-Acetylthiophene, and the molecular formula is C6H6OS, Product Details of C6H6OS.

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Xu, Jun published the artcileMulticomponent Bifunctionalization Of Methyl Ketones Enabled By Heterogeneous Catalysis And Solar Photocatalysis In Water, COA of Formula: C6H6OS, the main research area is quinoxalinone derivative green preparation; ketone quinoxalinone tert butyl hypochlorite three component solar photocatalyst.

A novel and green multicomponent transformation for the α-bifunctionalization of Me ketones, quinoxalinones and tBuOCl enabled by heterogeneous catalysis and solar photocatalysis was described to afford quinoxalinone derivatives I [R1 = H, 5-Me, 6-F, etc.; R2 = Me, Bn, 2-FC6H4, et .; R3 = Me, 2-furyl, Ph, etc.]. This reaction was performed in water and under an air atm., afforded the corresponding products I in a moderate-to-good yield.

ACS Sustainable Chemistry & Engineering published new progress about Green chemistry. 1468-83-3 belongs to class benzothiophene, name is 3-Acetylthiophene, and the molecular formula is C6H6OS, COA of Formula: C6H6OS.

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Mei, Haibo published the artcileIntramolecular Appel Reaction of Trifluoromethylated β-Keto Diazos Enabling Assembly of Trifluoromethylpyrazoles, Recommanded Product: 3-Acetylthiophene, the main research area is trifluoromethylpyrazole preparation; trifluoromethylated keto diazo compound intramol Appel.

A method for the generation of trifluoromethylated β-keto diazos, and their applications in intramol. Appel type reactions was reported for the synthesis of trifluoromethylpyrazoles I [R = Ph, 2-naphthyl, 2-furyl, etc.; R1 = CF3, CF2Cl, C2F5, etc.]. The key success of this reaction was diazo species as an N-nucleophile in Appel reactions. This reaction was conducted under mild conditions and had a broad substrate scope, affording trifluoromethylpyrazoles with up to 94% yields. This protocol represented a new type of Appel reaction and also a new reaction mode of fluoro diazoalkanes.

Organic Letters published new progress about Appel reaction. 1468-83-3 belongs to class benzothiophene, name is 3-Acetylthiophene, and the molecular formula is C6H6OS, Recommanded Product: 3-Acetylthiophene.

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Ramesh, Deepthi published the artcileFirst-in-class pyrido[2,3-d]pyrimidine-2,4(1H,3H)-diones against leishmaniasis and tuberculosis: Rationale, in vitro, ex vivo studies and mechanistic insights, Quality Control of 1468-83-3, the main research area is Pyrido pyrimidine dione leishmaniasis tuberculosis; antileishmanial antitubercular activity mol modeling; dihydrofolate reductase-thymidylate synthase complex; leishmaniasis; pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione; thymidylate kinase; tuberculosis.

Pyrido[2,3-d]pyrimidine-2,4(1H,3H)-diones were synthesized, for the first time, from indole chalcones and 6-aminouracil, and their ability to inhibit leishmaniasis and tuberculosis (Tb) infections was evaluated. The in vitro antileishmanial activity against promastigotes of Leishmania donovani revealed exceptional activities of compounds 3, 12 and 13, with IC50 values ranging from 10.23 ± 1.50 to 15.58 ± 1.67 μg/mL, which is better than the IC50 value of the standard drug pentostam of 500 μg/mL. The selectivity of the compounds towards Leishmania parasites was evaluated via ex vivo studies in Swiss albino mice. The efficiency of these compounds against Tb infection was then evaluated using the in vitro anti-Tb microplate Alamar Blue assay. Five compounds, 3, 7, 8, 9 and 12, showed MIC100 values against the Mycobacterium tuberculosis H37Rv strain at 25 μg/mL, and compound 20 yielded an MIC100 value of 50 μg/mL. Mol. modeling of these compounds highlighted interactions with binding sites of dihydrofolate reductase, pteridine reductase and thymidylate kinase, thus establishing the rationale of their pharmacol. activity against both pathogens, which is consistent with the in vitro results. From the above results, it is clear that compounds 3 and 12 are promising lead candidates for Leishmania and Mycobacterium infections and may be promising for coinfections.

Archiv der Pharmazie (Weinheim, Germany) published new progress about Cell viability. 1468-83-3 belongs to class benzothiophene, name is 3-Acetylthiophene, and the molecular formula is C6H6OS, Quality Control of 1468-83-3.

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Beltran-Hortelano, Ivan published the artcileDesign and synthesis of Mannich base-type derivatives containing imidazole and benzimidazole as lead compounds for drug discovery in Chagas Disease, Quality Control of 1468-83-3, the main research area is synthesis Mannich base imidazole benzimidazole drug discovery Chagas disease; drug design treatment Chagas disease Mannich base; Benzimidazole; Chagas disease; Imidazole; Mannich bases; Neglected tropical diseases; Trypanosoma cruzi.

The protozoan parasite Trypanosoma cruzi is the causative agent of Chagas disease, the most important parasitic infection in Latin America. The only treatments currently available are nitro-derivative drugs that are characterized by high toxicity and limited efficacy. Therefore, there is an urgent need for more effective, less toxic therapeutic agents. We have previously identified the potential for Mannich base derivatives as novel inhibitors of this parasite. To further explore this family of compounds, we synthesized a panel of 69 new analogs, based on multi-parametric structure-activity relationships, which allowed optimization of both anti-parasitic activity, physicochem. parameters and ADME properties. Addnl., we optimized our in vitro screening approaches against all three developmental forms of the parasite, allowing us to discard the least effective and trypanostatic derivatives at an early stage. We ultimately identified derivative I, which demonstrated excellent trypanocidal properties, and a synergistic mode of action against trypomastigotes in combination with the reference drug benznidazole. Both its druggability and low-cost production make this derivative a promising candidate for the preclin., in vivo assays of the Chagas disease drug-discovery pipeline.

European Journal of Medicinal Chemistry published new progress about Chagas disease. 1468-83-3 belongs to class benzothiophene, name is 3-Acetylthiophene, and the molecular formula is C6H6OS, Quality Control of 1468-83-3.

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Pua, Aileen published the artcileImproved detection of key odourants in Arabica coffee using gas chromatography-olfactometry in combination with low energy electron ionisation gas chromatography-quadrupole time-of-flight mass spectrometry, Application In Synthesis of 1468-83-3, the main research area is odorant Arabica coffee GC olfactometry electron ionization qTOF MS; AEDA; Coffee; GC-QTOF; Low energy EI; Volatiles.

Four Arabica coffees (Brazil, Colombia, Ethiopia, and Guatemala) yield highly variant odors, attesting to the complexities of coffee aroma that command advanced anal. tools. In this study, their volatiles were extracted using solvent-assisted flavor evaporation (SAFE) and headspace solid-phase microextraction (HS-SPME). Due to matrix complexity, some trace odorants were detected in SAFE extracts by aroma extract dilution anal. (AEDA) but remained difficult to quantify by gas chromatog.-mass spectrometry (GC-MS). This prompted the application of low energy electron ionization (EI) coupled with GC-quadrupole time-of-flight (GC-QTOF). Optimal low EI GC-QTOF parameters (EI energy: 15 eV, acquisition rate: 3 Hz) were applied to achieve improved mol. ion signal intensity and reproducibility (relative standard deviation < 10%) across five compounds, which resulted in good linearity (R2 ≥ 0.999) and lowered detection levels (e.g. 0.025 ± 0.005 ng/mL for 4-hydroxy-5-methyl-3(2H)-furanone). Therefore, this method potentially improves the measurement of trace odorants in complex matrixes by increasing specificity and sensitivity. Food Chemistry published new progress about Coffea arabica. 1468-83-3 belongs to class benzothiophene, name is 3-Acetylthiophene, and the molecular formula is C6H6OS, Application In Synthesis of 1468-83-3.

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Davanagere, Haleshappa published the artcileInvestigation of structural, physical, linear, and nonlinear optical properties of two novel thiophene centred D-π-A type push-pull organic derivatives for nonlinear optical applications, Quality Control of 1468-83-3, the main research area is phys linear nonlinear optical thiophene centered organic derivative.

The aim of the present study is to investigate the different key parameters of two novel thiophene based D-π-A type push-pull organic chalcone derivatives; 3-(4-nitrophenyl)- 3-hydroxy-1-(thiophen-2-yl) propan-1-one (2ATN) and 3-(4-nitrophenyl) -3-hydroxy -1-(thiophen-3-yl) propan-1-one (3ATN) through various exptl. techniques. The 2ATN and 3ATN single crystal are grown at ambient temperature by the slow evaporation solution growth technique. The single crystal X-ray diffraction anal. confirmed that both the title compounds 3ATN and 2ATN are crystallized in the triclinic crystal system under centrosym. structure with space group P-1. The 2ATN and 3ATN crystals are thermally stable up to 147.68°C and 197.4°C resp. The linear optical properties of grown crystals are characterized by photoluminescence and UV-visible spectroscopic technique. The Vicker’s microhardness test confirms the crystal’s hardness and the Vicker’s hardness number 19 kg/mm2 and 13 kg/mm2 of 2ATN and 3ATN resp., which are indicates the phys. stability of the crystals. The third-order nonlinear optical parameters are determined using Z-Scan technique under continuous wave laser source at 532 nm wavelength. Using the Kurtz-Perry method SHG efficiency was tested for both the crystals and the 3ATN crystal shows about 0.61 times the efficiency of urea crystal. The nitro substituted effects are described in the enhancement of NLO activity using structure-property relationship. The reported crystals can therefore be used for non-linear optical applications due to its excellent optical properties.

Journal of Molecular Structure published new progress about Crystal growth. 1468-83-3 belongs to class benzothiophene, name is 3-Acetylthiophene, and the molecular formula is C6H6OS, Quality Control of 1468-83-3.

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Li, Weina published the artcileVisible-Light-Promoted Carbene Insertion and Decarbonylation for the Synthesis of α-Substituted γ-Ketoesters, Product Details of C6H6OS, the main research area is ketoester green preparation; enaminone diazoester carbene insertion decarbonylation visible light promoted.

Herein, a blue visible-light-promoted approach to prepare a variety of α-substituted γ-ketoesters derivatives RC(O)CH2C(COOR1)R2R3 [R = Ph, 3-FC6H4, 4-MeC6H4, etc.; R1 = Me, Et; R2 = H, CHO; R3 = Ph, 4-ClC6H4, 3-thienyl, etc.] through carbene insertion and the decarbonylation of enaminones and diazoesters was reported. These reactions used readily available starting materials, as well as transition-metal-free, eco-friendly procedures that were amenable to gram-scale synthesis and wide functional group tolerance. This methodol. might be useful for constructing polysubstituted heterocycles with potential biol. activity.

Journal of Organic Chemistry published new progress about Decarbonylation. 1468-83-3 belongs to class benzothiophene, name is 3-Acetylthiophene, and the molecular formula is C6H6OS, Product Details of C6H6OS.

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Wu, Pu published the artcileBioactivity-guided discovery of quality control markers in rhizomes of Curcuma wenyujin based on spectrum-effect relationship against human lung cancer cells, Product Details of C6H6OS, the main research area is Curcuma wenyujin rhizome quality control human lung cancer cell; Curcuma wenyujin; bioactive compounds-based fingerprint; quality control; spectrum-effect relationship.

Due to the diversity of the ingredients, the complexity of the mechanism of action, the uncertainty of the effective ingredients, coupled with the multiple species and multiple growing areas, the quality control (QC) of Traditional Chinese Medicines (TCMs) is challenging. Discovering and identifying effective compounds from the complex extracts of TCMs and then establishing a scientific QC method is the key to the holistic QC of TCMs. To develop an anti-lung-cancer-guided spectrum-effect relationship approach for the discovery of QC markers of the rhizome of Curcuma wenyujin (WEZ) and establish a bioactive compounds-based holistic QC method. The chem. profiling of the volatile oil (WVO) from 42 batches of WEZ collected from different growing areas was performed by GC-MS. The anti-lung cancer activity of different WVO samples was determined by CCK-8 assay against human lung cancer cells (A549). The apoptosis and cell cycle anal. under different concentrations of WVO were detected by flow cytometry. SIMCA-P software was used to perform multivariate statistical anal. on the chem. composition of different WVO samples and to find the different components. Active compounds were screened using a PLSR model of the spectrum-effect relationship. Bioactive compounds-based fingerprint and quantification of the leading bioactive compounds were developed by GC-MS and GC-FID, resp. Seventy-eight compounds were detected in WVO and 54 were successfully identified. The multivariate statistical anal. uncovered that WVO components and the anti-A549 activity of WVO at the concentration of 60 nl/mL differ greatly according to the origin of the plant. The WVO at the concentration of 60 nl/mL (IC50) increased A549 cells apoptosis significantly with late and early apoptosis of 15.61% and 7.80%, and the number of cells in the G2/M phase were also increased significantly under this concentration The spectrum-effect relationship anal. revealed that 44 compounds were pos. correlated with their activities, and the result was verified by A549 cell viability assay. Sixteen pos. correlated compounds were further selected as QC markers according to their relative amount > 0.5% and anticancer activity. Finally, the 16 QC markers-based GC-MS fingerprint was established to holistically control the quality of WEZ, and a GC-FID method was developed for the quantification of leading bioactive compounds, β-elemene and β-caryophyllene. Based on an anti-lung-cancer-guided spectrum-effect relationship approach, the bioactive compounds-based holistic QC method was successfully developed for WEZ, which could provide a valuable reference for the QC of TCMs.

Phytomedicine published new progress about Antitumor agents. 1468-83-3 belongs to class benzothiophene, name is 3-Acetylthiophene, and the molecular formula is C6H6OS, Product Details of C6H6OS.

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Shin, Soon Young published the artcileDesign, synthesis, and biological activities of 1-aryl-(3-(2-styryl)phenyl)prop-2-en-1-ones, Formula: C6H6OS, the main research area is arylstyrylphenylpropenone synthesis antitumor apoptosis ROS; 1-aryl-(3-(2-styryl)phenyl)prop-2-en-1-one; Apoptosis; CoMFA; CoMSIA; Poly(ADP-ribose) polymerase; ROS generation.

A moderate elevation in reactive oxygen species (ROS) levels can generally be controlled in normal cells, but may lead to death of cancer cells as the ROS level in cancer cells is already elevated. Therefore, a ROS-generating compound can act as a selective chemotherapeutic agent for cancer cells that does not affect normal cells. In our previous study, a compound containing a Michael acceptor was selectively cytotoxic to cancer cells without affecting normal cells; therefore, we designed and synthesized 26 compounds containing a Michael acceptor. Their cytotoxicities against HCT116 human colon cancer cell lines were measured by using a clonogenic long-term survival assay. To derive the structural conditions required to obtain stronger cytotoxicity against cancer cells, the relationships between the half-maximal cell growth inhibitory concentration values of the synthesized compounds and their physicochem. properties were evaluated by Comparative Mol. Field Anal. and Comparative Mol. Similarity Indexes Anal. It was confirmed that the compound with the best half-maximal cell growth inhibitory concentration triggered apoptosis through ROS generation, which then led to stimulation of the caspase pathway.

Bioorganic Chemistry published new progress about Antitumor agents. 1468-83-3 belongs to class benzothiophene, name is 3-Acetylthiophene, and the molecular formula is C6H6OS, Formula: C6H6OS.

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem