Tag: M.W=150-200

Ghalloo, Bilal Ahmad published the artcilePhytochemical Profiling, In Vitro Biological Activities, and In Silico Molecular Docking Studies of Dracaena reflexa, Quality Control of 627-93-0, the publication is Molecules (2022), 27(3), 913, database is CAplus and MEDLINE.

Dracaena reflexa, a traditionally significant medicinal plant, has not been extensively explored before for its phytochem. and biol. potential. The present study was conducted to evaluate the bioactive phytochems. and in vitro biol. activities of D. reflexa, and perform in silico mol. docking validation of D. reflexa. The bioactive phytochems. were assessed by preliminary phytochem. testing, total bioactive contents, and GC-MS anal. For biol. evaluation, the antioxidant (DPPH, ABTS, CUPRAC, and ABTS), antibacterial, thrombolytic, and enzyme inhibition (tyrosinase and cholinesterase enzymes) potential were determined The highest level of total phenolic contents (92.72 ± 0.79 mg GAE/g extract) was found in the n-butanol fraction while the maximum total flavonoid content (110 ± 0.83 mg QE/g extract) was observed in methanolic extract The results showed that n-butanol fraction exhibited very significant tyrosinase inhibition activity (73.46 ± 0.80) and acetylcholinesterase inhibition activity (64.06 ± 2.65%) as compared to other fractions and comparable to the standard compounds (kojic acid and galantamine). The methanolic extract was considered to have moderate butyrylcholinesterase inhibition activity (50.97 ± 063) as compared to the standard compound galantamine (53.671 ± 0.97%). The GC-MS anal. of the n-hexane fraction resulted in the tentative identification of 120 bioactive phytochems. Furthermore, the major compounds as identified by GC-MS were analyzed using in silico mol. docking studies to determine the binding affinity between the ligands and the enzymes (tyrosinase, acetylcholinesterase, and butyrylcholinesterase enzymes). The results of this study suggest that Dracaena reflexa has unquestionable pharmaceutical importance and it should be further explored for the isolation of secondary metabolites that can be employed for the treatment of different diseases.

Molecules published new progress about 627-93-0. 627-93-0 belongs to esters-buliding-blocks, auxiliary class Ploymers, name is Dimethyl adipate, and the molecular formula is C8H14O4, Quality Control of 627-93-0.

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

Casanola-Martin, Gerardo M. published the artcileRetrained classification of tyrosinase inhibitors and “in silico” potency estimation by using atom-type linear indices: a powerful tool for speed up the discovery of leads, Recommanded Product: 3-Methylbut-2-en-1-yl benzoate, the publication is International Journal of Chemoinformatics and Chemical Engineering (2012), 2(2), 42-144, database is CAplus.

In this paper, the authors present an effort to increase the applicability domain (AD) by means of retraining models using a database of 701 great dissimilar mols. presenting anti-tyrosinase activity and 728 drugs with other uses. Atom-based linear indexes and best subset linear discriminant anal. (LDA) were used to develop individual classification models. Eighteen individual classification-based QSAR models for the tyrosinase inhibitory activity were obtained with global accuracy varying from 88.15-91.60% in the training set and values of Matthews correlation coefficients (C) varying from 0.76-0.82. The external validation set shows globally classifications above 85.99% and 0.72 for C. All individual models were validated and fulfilled by OECD principles. A brief anal. of AD for the training set of 478 compounds and the new active compounds included in the re-training was carried out. Various assembled multiclassifier systems contained eighteen models using different selection criterions were obtained, which provide possibility of select the best strategy for particular problem. The various assembled multiclassifier systems also estimated the potency of active identified compounds Eighteen validated potency models by OECD principles were used.

International Journal of Chemoinformatics and Chemical Engineering published new progress about 5205-11-8. 5205-11-8 belongs to esters-buliding-blocks, auxiliary class Alkenyl,Benzene,Ester, name is 3-Methylbut-2-en-1-yl benzoate, and the molecular formula is C12H14O2, Recommanded Product: 3-Methylbut-2-en-1-yl benzoate.

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

Khan, Sher Bahadar published the artcileTyrosinase inhibitory effect of benzoic acid derivatives and their structure-activity relationships, Recommanded Product: 3-Methylbut-2-en-1-yl benzoate, the publication is Journal of Enzyme Inhibition and Medicinal Chemistry (2010), 25(6), 812-817, database is CAplus and MEDLINE.

A series of benzoic acid derivatives 1-10 have been synthesized by two different methods. Compounds 1-6 were synthesized by a facile procedure for esterification using N,N’-dicyclohexylcarbodiimide (DCC) as a coupling agent, methylene chloride as a solvent system and dimethylaminopyridine (DMAP). While 7-10 were synthesized by converting benzoic acid into benzoyl chloride by treating with thionyl chloride in the presence of benzene and performing a further reaction with amine in dried benzene. The structures of all the synthesized derivatives of benzoic acid (1-10) were assigned on the basis of extensive NMR studies. All of them showed inhibitory potential against tyrosinase. Among them, compound 7 was the most potent (1.09 μM) when compared with the standard tyrosinase inhibitors of kojic acid (16.67 μM) and L-mimosine (3.68 μM). Finally in this paper, we have discussed the structure-activity relationships of the synthesized mols.

Journal of Enzyme Inhibition and Medicinal Chemistry published new progress about 5205-11-8. 5205-11-8 belongs to esters-buliding-blocks, auxiliary class Alkenyl,Benzene,Ester, name is 3-Methylbut-2-en-1-yl benzoate, and the molecular formula is C12H14O2, Recommanded Product: 3-Methylbut-2-en-1-yl benzoate.

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

Mohammadi Metkazini, S. Fatemeh published the artcileSustainable Visible Light-Driven Heck and Suzuki Reactions Using NiCu Nanoparticles Adorned on Carbon Nano-onions, Recommanded Product: Methyl 3-phenyl-2-propenoate, the publication is ACS Sustainable Chemistry & Engineering (2021), 9(42), 14061-14069, database is CAplus.

NiCu nanoparticles supported on carbon nano-onion display astoundingly high photocatalytic activity for the Heck and Suzuki cross-coupling reactions. These reactions were performed under the irradiation of a mercury-vapor lamp (400 W) under mild and sustainable reaction conditions; visible light irradiation excites the electrons of metal nanoparticles, leading to the faster accomplishment of the reactions. This novel, easily accessible, and inexpensive noble-metal-free catalyst exhibited significant recyclability with no significant loss of catalytic activity after seven successive runs.

ACS Sustainable Chemistry & Engineering published new progress about 103-26-4. 103-26-4 belongs to esters-buliding-blocks, auxiliary class Alkenyl,Benzene,Ester,Protease,Tyrosinase,Natural product, name is Methyl 3-phenyl-2-propenoate, and the molecular formula is C10H10O2, Recommanded Product: Methyl 3-phenyl-2-propenoate.

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

Deb, Prashanta Kumar published the artcileVariation in chemical constituents, in-vitro bioactivity and toxicity profile among different parts of Clerodendrum glandulosum Lindl. (C. colebrookianum Walp.), Recommanded Product: Dimethyl adipate, the publication is South African Journal of Botany (2021), 50-61, database is CAplus.

In this study, chem., biol. and toxicity profile of hydromethanolic extracts of different parts (leaf, stem and root) of Clerodendrum glandulosum Lindl. were investigated simultaneously for the first time. Total phenolic and flavonoid contents were estimated spectrophotometrically. Untargeted metabolomics was performed using GC-MS and HPLC-PDA-MS to identify the individual secondary metabolites. Antioxidant potentials (DPPH, ABTS, FRAP, phosphomolybdenum, superoxide ion scavenging assay) were estimated and enzyme inhibition assays (α-glucosidase, α-amylase, pancreatic lipase, xanthine oxidase, angiotensin-converting enzyme) were performed. Cytotoxicity of the extracts in HepG2 and L6 cell lines along with acute oral toxicity was carried out. Leaf extract exhibited the highest phenolic (282.02 ± 5.87 mg GAE/g) and flavonoid (276.74 ± 5.08 mg QCE/g) content. Significantly (p<0.05) high antioxidant and enzyme inhibition potential was found in leaf extract as compared to stem and root. Leaf extract (IC50: 104.11 ± 0.36 μg/mL) exhibited comparatively better inhibition potential than standard inhibitor acarbose (IC50: 232.57 ± 3.28 μg/mL) against α-glucosidase enzyme. Chem. anal. confirmed the presence of verbascoside in all the three parts, whereas caffeic acid, other verbascoside derivatives, scutellarin, luteolin, and apigenin were identified in leaf. No cytotoxicity was demonstrated except by stem extract at higher concentration (1000 μg/mL). However, no in-vivo toxicity was demonstrated by extracts of any parts. These findings provides a brief overview on the chem. and biol. propensities of C. glandulosum Lindl. with possibility of its use in the management of various ailments.

South African Journal of Botany published new progress about 627-93-0. 627-93-0 belongs to esters-buliding-blocks, auxiliary class Ploymers, name is Dimethyl adipate, and the molecular formula is C8H14O4, Recommanded Product: Dimethyl adipate.

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

Burgard, Niklas published the artcileThe Influence of Modified Experimental Dental Resin Composites on the Initial In Situ Biofilm-A Triple-Blinded, Randomized, Controlled Split-Mouth Trial, SDS of cas: 10287-53-3, the publication is Polymers (Basel, Switzerland) (2021), 13(16), 2814, database is CAplus and MEDLINE.

The purpose of the study was to investigate the bacterial viability of the initial biofilm on the surface of exptl. modified dental resin composites. Twenty-five healthy individuals with good oral hygiene were included in this study. In a split-mouth design, they received acrylic splints with five exptl. composite resin specimens. Four of them were modified with either a novel polymeric hollow-bead delivery system or methacrylated polymerizable Irgasan (Antibacterial B), while one specimen served as an unmodified control (ST). A delivery system based on Poly-Pore was loaded with one of the active agents: Tego Protect 5000 (Antiadhesive A), Dimethicone (Antiadhesive B), or Irgasan (Antibacterial A). All study subjects refrained from toothbrushing during the study period. Specimens were detached from the splints after 8 h and given a live/dead staining before fluorescence microscopy. A Friedman test and a post hoc Nemenyi test were applied with a significance level at p < 0.05. In summary, all materials but Antibacterial B showed a significant antibacterial effect compared to ST. The results suggested the role of the materials′ chem. in the dominance of cell adhesion. In conclusion, dental resin composites with Poly-Pore-loaded active agents showed antibacterial effectiveness in situ.

Polymers (Basel, Switzerland) published new progress about 10287-53-3. 10287-53-3 belongs to esters-buliding-blocks, auxiliary class Amine,Benzene,Ester, name is Ethyl 4-dimethylaminobenzoate, and the molecular formula is C11H15NO2, SDS of cas: 10287-53-3.

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

Aubrecht, Jaroslav published the artcileEnhanced activity of Cu/SiO₂ and Cu/ZrO₂ catalysts in dimethyl adipate hydrogenolysis, COA of Formula: C8H14O4, the publication is Catalysis Today, database is CAplus.

According to green chem. principles, the process of ester hydrogenolysis is not sustainable. It is catalyzed by Adkins CuCr₂O₃ catalyst that brings some environmental risks. Therefore, a design of new environmentally-friendly hydrogenolysis catalysts is highly desired. We investigated eight catalysts prepared using two methods – incipient wetness impregnation (IWI) and chemisorption-hydrolysis (CH) – with a combination of two types of supports – ZrO₂ and two types of SiO₂. The preparation method affects significantly the dispersion of the resulting copper phase in case of SiO₂, and CH is essential to obtain very small and active Cu particles. On the other hand, when ZrO₂ is used, the most critical aspect is its sp. surface area, and a highly dispersed copper phase is formed on the high sp. surface area sample, both for CH and IWI preparation methods. All eight prepared catalysts were investigated in di-Me adipate hydrogenolysis to compare their activity and selectivity. Nice correlation between support – synthesis method – activity was found. ZrO₂-based catalysts and CH resulted in more active catalysts compared to SiO₂-based ones and IWI. Interestingly, Cu/SiO₂ catalyst prepared by CH was more selective to the main reaction product hexane-1,6-diol due to the presence of acid sites. In this paper, the catalyst hydrogenolysis activity was increased twice, compared to our previous experiments using Cu/ZnO prepared by deposition-precipitation

Catalysis Today published new progress about 627-93-0. 627-93-0 belongs to esters-buliding-blocks, auxiliary class Ploymers, name is Dimethyl adipate, and the molecular formula is C8H14O4, COA of Formula: C8H14O4.

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

Almutairi, Basil published the artcileSynergistic effect of graphene oxide/calcium phosphate nanofiller in a dentin adhesive on its dentin bond integrity and degree of conversion. A scanning electron microscopy, energy dispersive X-ray spectroscopy, Fourier transform infrared, micro-Raman , and bond strength study, Name: Ethyl 4-dimethylaminobenzoate, the publication is Microscopy Research and Technique (2021), 84(9), 2082-2094, database is CAplus and MEDLINE.

The objective was to formulate and analyze a dentin adhesive incorporated with graphene oxide (GO) nanoparticle and calcium phosphate (CaP) composite. Methods comprising of SEM (SEM)-energy dispersive X-ray spectroscopy (EDX), micro-Raman spectroscopy, shear bond strength (SBS), and Fourier transform IR (FTIR) spectroscopy were used to characterize nanoparticle composite, dentin bond toughness, degree of conversion (DC), and adhesive-dentin interaction. Postsynthesis of GO nanoparticles, they were functionalized with CaP using standard process. The GO-CaP composite was not added to exptl. adhesive (neg. control group, GO-CaP-0%), and added at 2.5 and 5 wt% to yield GO-CaP-2.5% and GO-CaP 5% groups, resp. Teeth were set to form bonded samples utilizing adhesives in three groups for SBS testing, with and without thermocycling. The homogenous diffusion of GO-CaP composite was verified in the adhesive. Resin tags having standard penetrations were observed on SEM micrographs. The EDX anal. confirmed the occurrence of calcium, phosphorus, and carbon ions in the composite containing adhesives. The SBS test revealed highest mean values for GO-CaP-5% followed by GO-CaP-2.5%. The FTIR spectra verified the presence of apatite peaks and the micro-Raman spectra showed characteristic D and G bands for GO nanoparticles. GO-CaP composite in dentin adhesive may improve its bond strength. The addition of 5 wt% resulted in a bond strength that was superior to all other groups. GO-CaP-5% group demonstrated lower DC (to control), uniform distribution of GO and CaP composite within adhesive, appropriate dentin interaction, and resin tag formation.

Microscopy Research and Technique published new progress about 10287-53-3. 10287-53-3 belongs to esters-buliding-blocks, auxiliary class Amine,Benzene,Ester, name is Ethyl 4-dimethylaminobenzoate, and the molecular formula is C11H15NO2, Name: Ethyl 4-dimethylaminobenzoate.

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

Liu, Ding published the artcileRoom-temperature Pd-catalyzed methoxycarbonylation of terminal alkynes with high branched selectivity enabled by bisphosphine-picolinamide ligand, Recommanded Product: Methyl 3-phenyl-2-propenoate, the publication is Chemical Communications (Cambridge, United Kingdom) (2022), 58(7), 1041-1044, database is CAplus and MEDLINE.

Authors report the room-temperature Pd-catalyzed methoxy-carbonylation with high branched selectivity using a new class of bisphosphine-picolinamide ligands. Systematic optimization of ligand structures and reaction conditions revealed the significance of both the picolinamide and bisphosphine groups in the ligand backbone. This strategic design of ligand was leveraged to deliver various α-substituted acrylates in good to excellent yields.

Chemical Communications (Cambridge, United Kingdom) published new progress about 103-26-4. 103-26-4 belongs to esters-buliding-blocks, auxiliary class Alkenyl,Benzene,Ester,Protease,Tyrosinase,Natural product, name is Methyl 3-phenyl-2-propenoate, and the molecular formula is C10H10O2, Recommanded Product: Methyl 3-phenyl-2-propenoate.

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

Schmid, Lucius published the artcilePhotostable Ruthenium(II) Isocyanoborato Luminophores and Their Use in Energy Transfer and Photoredox Catalysis, Related Products of esters-buliding-blocks, the publication is JACS Au (2021), 1(6), 819-832, database is CAplus and MEDLINE.

Ruthenium(II) polypyridine complexes are among the most popular sensitizers in photocatalysis, but they face some severe limitations concerning accessible excited-state energies and photostability that could hamper future applications. In this study, the borylation of heteroleptic ruthenium(II) cyanide complexes with α-diimine ancillary ligands is identified as a useful concept to elevate the energies of photoactive metal-to-ligand charge-transfer (MLCT) states and to obtain unusually photorobust compounds suitable for thermodynamically challenging energy transfer catalysis as well as oxidative and reductive photoredox catalysis. B(C₆F₅)₃ groups attached to the CN^– ligands stabilize the metal-based t_2g-like orbitals by ~0.8 eV, leading to high ³MLCT energies (up to 2.50 eV) that are more typical for cyclometalated iridium(III) complexes. Through variation of their α-diimine ligands, nonradiative excited-state relaxation pathways involving higher-lying metal-centered states can be controlled, and their luminescence quantum yields and MLCT lifetimes can be optimized. These combined properties make the resp. isocyanoborato complexes amenable to photochem. reactions for which common ruthenium(II)-based sensitizers are unsuited, due to a lack of sufficient triplet energy or excited-state redox power. Specifically, this includes photoisomerization reactions, sensitization of nickel-catalyzed cross-couplings, pinacol couplings, and oxidative decarboxylative C-C couplings. Our work is relevant in the greater context of tailoring photoactive coordination compounds to current challenges in synthetic photochem. and solar energy conversion.

JACS Au published new progress about 103-26-4. 103-26-4 belongs to esters-buliding-blocks, auxiliary class Alkenyl,Benzene,Ester,Protease,Tyrosinase,Natural product, name is Methyl 3-phenyl-2-propenoate, and the molecular formula is C10H10O2, Related Products of esters-buliding-blocks.

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