Month: December 2022

Vega Erramuspe, Iris Beatriz published the artcileAdvanced Cellulose Fibers for Efficient Immobilization of Enzymes, Synthetic Route of 6249-56-5, the publication is Biomacromolecules (2016), 17(10), 3188-3197, database is CAplus and MEDLINE.

Biocatalytic pulp fibers were prepared using surface functionalization of bleached kraft pulp with amino groups (F) and further immobilization of a crosslinked glucose oxidase (G^*) from Aspergillus niger. The crosslinked enzymes (G^*) were characterized using x-ray spectroscopy, FTIR spectroscopy, dynamic scanning calorimetry and dynamic light scattering. According to standard assays, the G^* content on the resulting fibers (FG^*) was 11 mg/g of fiber, and the enzyme activity was 215 U/g. The results from confocal- and stimulated emission depletion microscopic techniques demonstrated that G^* did not penetrate the interlayers of fibers. The benefit of pulp fiber functionalization was evident in the present case, as the introduction of amino groups allowed the immobilization of a larger amount of enzymes and rendered more efficient systems. Using the approach described here, several advanced materials from wood pulp fibers and new bioprocesses might be developed by selecting the correct enzyme for the target applications.

Biomacromolecules published new progress about 6249-56-5. 6249-56-5 belongs to chlorides-buliding-blocks, auxiliary class Phase Transfer Catalyst,Inhibitor,Natural product, name is 3-Carboxy-N,N,N-trimethylpropan-1-aminium chloride, and the molecular formula is C14H21BO3, Synthetic Route of 6249-56-5.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Saeidian, Hamid published the artcileHarmony of computational quantum chemistry and experimental chemistry: Comprehensive DFT studies, microsynthesis, and characterization of mustard gas polysulfide analogues, COA of Formula: C4H8Cl2S2, the publication is Journal of Molecular Structure (2018), 57-62, database is CAplus.

After microsynthesis, structures of mustard gas polysulfide analogs were characterized using electron impact (EI) mass spectrometry. General EI fragmentation pathways for such compounds are proposed. The structure of sulfur mustard (HD) and its two other polysulfide analogs have been examined through B3LYP/6-311++G(2d, 2p) calculations Geometrical anal. of HD shows that the calculated bond distances are satisfactorily comparable with exptl. results. Calculated NMR chem. shifts for HD also were compared with exptl. data, indicating good agreement both for ¹H and ¹³C atoms. The vibrational frequencies of HD and polysulfide analogs have been precisely assigned. At the end, based on visual inspection of lowest unoccupied MOs and the relative difference in the total energies of their episulfonium ions, relative reactivity of HD and its polysulfide analogs were investigated.

Journal of Molecular Structure published new progress about 1002-41-1. 1002-41-1 belongs to chlorides-buliding-blocks, auxiliary class Aliphatic Chain, name is 1,2-Bis(2-chloroethyl)disulfane, and the molecular formula is C4H8Cl2S2, COA of Formula: C4H8Cl2S2.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Elkamhawy, Ahmed published the artcileTargeting EGFR/HER2 tyrosine kinases with a new potent series of 6-substituted 4-anilinoquinazoline hybrids: Design, synthesis, kinase assay, cell-based assay, and molecular docking, Name: 3-Chloro-4-fluoronitrobenzene, the publication is Bioorganic & Medicinal Chemistry Letters (2015), 25(22), 5147-5154, database is CAplus and MEDLINE.

Coexpression of EGFR and HER2 has been found in many tumors such as breast, ovarian, colon and prostate cancers, with poor prognosis of the patients. Herein, our team has designed and synthesized new eighteen compounds with 6-substituted 4-anilinoquinazoline core to selectively inhibit EGFR/HER2 tyrosine kinases. Twelve compounds showed nanomolar range of IC₅₀ values on EGFR and/or HER2 kinases. Accordingly, a detailed structure activity relationship (SAR) was established. A mol. docking study demonstrated the favorable binding modes of I (X = Me, NHEt) at the ATP active site of both kinases. A kinase selectivity profile performed for compound 8d showed great selectivity for EGFR and HER2. In addition, compound I (X = Me, NHEt) and II exerted selective promising cytotoxic activity over BT-474 cell line with IC₅₀ values of 2.70, 1.82 and 1.95 μM, resp. From these results, we report analogs I (X = Me, NHEt) and II as promising candidates for the discovery of well-balanced compounds in terms of the kinase inhibitory potency and antiproliferative activity.

Bioorganic & Medicinal Chemistry Letters published new progress about 350-30-1. 350-30-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Nitro Compound,Benzene, name is 3-Chloro-4-fluoronitrobenzene, and the molecular formula is C6H3ClFNO2, Name: 3-Chloro-4-fluoronitrobenzene.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Wei, Zhengxi published the artcileA direct peptide reactivity assay using a high-throughput mass spectrometry screening platform for detection of skin sensitizers, Quality Control of 7080-50-4, the publication is Toxicology Letters (2021), 67-77, database is CAplus and MEDLINE.

Chem.-peptide conjugation is the mol. initiating event in skin sensitization. The OECD test guideline uses a high-performance liquid chromatog./UV (HPLC/UV) detection method to quantify chem.-peptide conjugation in a direct peptide reactivity assay (DPRA), which measures the depletion of two synthetic peptides containing lysine or cysteine residues. To improve assay throughput, sensitivity and accuracy, an automated 384-well plate-based RapidFire solid-phase extraction (SPE) system coupled with tandem mass spectrometry (MS/MS) DPRA was developed and validated in the presence of a newly designed internal standard Compared to the HPLC/UV-based DPRA, the automated SPE-MS/MS-based DPRA improved throughput from 16 min to 10 s per sample, and substrate peptides usage was reduced from 100 mM to 5μM. When implementing the SPE-MS/MS-based DPRA into a high-throughput platform, we found 10 compounds that depleted lysine peptide and 24 compounds that depleted cysteine peptide (including 7 unreported chems. from 55 compounds we tested) in a concentration-response manner. The adduct formation between cysteine and cinnamic aldehyde and ethylene glycol dimethacrylate were further analyzed using high-performance liquid chromatog. time-of-flight mass spectrometry (HPLC-TOF-MS) to confirm the conjugation. Overall, the automated SPE-MS/MS-based platform is an efficient, economic, and accurate way to detect skin sensitizers.

Toxicology Letters published new progress about 7080-50-4. 7080-50-4 belongs to chlorides-buliding-blocks, auxiliary class Halogenation Reagent,Inhibitor, name is Sodium chloro(tosyl)amide trihydrate, and the molecular formula is C6H6N2O, Quality Control of 7080-50-4.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Wu, Z. L. published the artcileSynthesis and antitumor evaluation of 5-(benzo[d][1,3]dioxol-5-ylmethyl)-4-(tert-butyl)-N-arylthiazol-2-amines, Recommanded Product: 1-(4-Chlorophenyl)thiourea, the publication is MedChemComm (2016), 7(9), 1768-1774, database is CAplus.

A series of novel N-aryl-5-(benzo[d][1,3]dioxol-5-ylmethyl)-4-(tert-butyl)thiazol-2-amines (C1-C31) were synthesized and evaluated for their antitumor activities against HeLa, A549 and MCF-7 cell lines. Some tested compounds showed potent growth inhibition properties with IC₅₀ values generally below 5 μM against the three human cancer cells lines. Compound C27 showed potent activities against HeLa and A549 cell lines with IC₅₀ values of 2.07 ± 0.88 μM and 3.52 ± 0.49 μM, resp. Compound C7 (IC₅₀ = 2.06 ± 0.09 μM) was the most active compound against A549 cell line, while compound C16 (IC₅₀ = 2.55 ± 0.34 μM) showed the best inhibitory activity against the MCF-7 cell line. The preliminary mechanism of the inhibitory effect was investigated via further experiments, such as morphol. anal. by dual AO/EB staining and Hoechst 33342 staining, and cell apoptosis and cycle assessment by FACS anal. The results illustrated that compound C27 could induce apoptosis and cause both S-phase and G2/M-phase arrests in HeLa cell line. Therefore, compound C27 could be developed as a potential antitumor agent.

MedChemComm published new progress about 3696-23-9. 3696-23-9 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Thiourea,Amine,Benzene,Amide, name is 1-(4-Chlorophenyl)thiourea, and the molecular formula is 0, Recommanded Product: 1-(4-Chlorophenyl)thiourea.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Wang, Jian-Fang published the artcileCocrystal of {Ti₄} and {Ti₆} Clusters with Enhanced Photochemical Properties, Application In Synthesis of 6313-54-8, the publication is Inorganic Chemistry (2017), 56(5), 2367-2370, database is CAplus and MEDLINE.

A supramol. cocrystal {Ti₄ + Ti₆} has been prepared through the combination of isolated {Ti₄} and {Ti₆} clusters. The combined {Ti₄ + Ti₆} complex displayed better solar-driven photocatalytic dye degradation activity than the individual {Ti₄} and {Ti₆} compounds

Inorganic Chemistry published new progress about 6313-54-8. 6313-54-8 belongs to chlorides-buliding-blocks, auxiliary class Pyridine,Chloride,Carboxylic acid, name is 2-Chloroisonicotinic acid, and the molecular formula is C6H13NO2, Application In Synthesis of 6313-54-8.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Liang, Jun published the artcileChemical synthesis of Ub-AMC via ligation of peptide hydrazides, SDS of cas: 42074-68-0, the publication is Science China: Chemistry (2013), 56(9), 1301-1306, database is CAplus.

The C-terminal conjugate of ubiquitin with 7-amino-4-methylcoumarin (Ub-AMC) is an important probe for fluorescence-based anal. of deubiquitinating enzyme (DUB) activity. It is important to develop more efficient methods for the preparation of Ub-AMC because the currently available technol. is still expensive for scaled-up production In the present work we report an efficient strategy for total chem. synthesis of Ub-AMC through ligation of peptide hydrazides. Three peptide segments are assembled via N-to-C sequential ligation and the resulting product is converted to Ub-AMC via TCEP-mediated desulfurization. The synthetic Ub-AMC is shown to have expected biol. functions through the measurement of its DUB activity.

Science China: Chemistry published new progress about 42074-68-0. 42074-68-0 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Benzyl chloride,Benzene, name is 2-Chlorotrityl chloride, and the molecular formula is C19H14Cl2, SDS of cas: 42074-68-0.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Wu, Dunqi published the artcileCopper-Catalyzed Enantioselective Radical Chlorination of Alkenes, Recommanded Product: 2-Chloro-4-methylphenylboronic acid, the publication is ACS Catalysis (2022), 12(9), 5284-5291, database is CAplus.

In this report, authors reviewed a copper-catalyzed asym. atom transfer radical addition (ATRA) reaction, which remains a great challenge since the discovery of racemic ATRA in the 1940s. This enantioselective radical chlorination of acrylamides was developed, where three reagents, including Togni-I and TMSCl, PhICF₃Cl, and CX₃SO₂Cl, were employed as the radical sources and chlorine source, affording a series of chlorinated carbon-centered quaternary compounds in good yields with excellent enantioselectivity. Notably, the well-designed bulky chiral ligand plays a key role in the successful enantioselective radical chlorination process.

ACS Catalysis published new progress about 145349-62-8. 145349-62-8 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Boronic acid and ester,Benzene,Boronic Acids, name is 2-Chloro-4-methylphenylboronic acid, and the molecular formula is C7H7IN2O, Recommanded Product: 2-Chloro-4-methylphenylboronic acid.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Zhang, Jitan published the artcilePalladium-catalyzed Atroposelective Interannular C-H Arylation of Biaryl Aldehydes with Aryl Iodides Enabled by a Transient Directing Group Strategy, Application of 4-Chloro-2-methylphenylboronic acid, the publication is Advanced Synthesis & Catalysis (2022), 364(20), 3589-3599, database is CAplus.

A concise synthesis of axially chiral biaryl aldehydes through Pd/amino acid-catalyzed atroposelective interannular C-H arylation of biaryl aldehydes with aryl iodides is developed. This reaction proceeds smoothly involving excellent enantiocontrol and accomplishes with good tolerance of functional groups. Moreover, the readily accessible scale-up synthesis and further transformation of products has highlighted the potential utility of this asym. catalytic protocol.

Advanced Synthesis & Catalysis published new progress about 209919-30-2. 209919-30-2 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Boronic acid and ester,Benzene,Boronic Acids,Boronic acid and ester, name is 4-Chloro-2-methylphenylboronic acid, and the molecular formula is C20H17FO4S, Application of 4-Chloro-2-methylphenylboronic acid.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Huang, Benhua published the artcileSol-gel preparation of helical silicate containing palladium oxide nanoparticles and the application for nitration of aromatic compound, Formula: C10H15ClO3S, the publication is Molecular Catalysis (2018), 140-151, database is CAplus.

Two palladium-containing silicates are prepared through sol-gel, and doping of L-sodium lactate plays a key role for giving helical morphol. The helical silicate is modified by chiral sulfonyl chloride in order to modulate coordination environment of palladium for enhanced catalysis. The porosity, composition, crystalline nature and bulk chirality have been studied too. All synthetic silicates show high yields for nitration of arenes by using available nitro-source. Both solvent acidity and oxidant seem crucial to nitration more than others. The conversion of larger arene is related to catalyst porosity, and modification of silicate with chiral sulfonyl chloride shows varied results. Furthermore, two catalysts exhibit renewable recycling behaviors, proving their interior palladium could be utilized. Lastly, a tetravalent palladium-facilitated mechanism is proposed. This work may contribute to the design and catalytic application of nanosized or microsized silica material with particular morphol.

Molecular Catalysis published new progress about 21286-54-4. 21286-54-4 belongs to chlorides-buliding-blocks, auxiliary class Chiral,Chloride,Sulfonyl chlorides,Aliphatic cyclic hydrocarbon,Ketone, name is ((1S,4R)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonyl chloride, and the molecular formula is C10H15ClO3S, Formula: C10H15ClO3S.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics