Category: 104-01-8

Reginato, Marcelo Mota published the artcileConformational study of the electronic interactions and nitric oxide release potential of new S-nitrosothiols esters derivatives of ibuprofen, naproxen and phenyl acids substituted (SNO-ESTERS): Synthesis, infrared spectroscopy analysis and theoretical calculations, Computed Properties of 104-01-8, the main research area is nitrosothiol ester conformation IR spectra mol structure stabilization energy; Infrared spectroscopy; Natural Bond Orbital; Nitric oxide; Synthesis; S‑Nitrosothiols; Theoretical calculations.

The conformational study on the new S-nitrosothiols esters (SNO-ESTERS): para-substituted (X = H, OMe, Cl and NO2) S-nitrosothiol derivatives 2-methyl-2-(sulfanyl)propyl phenylacetates (R1), 2-(4-isobutylphenyl)propanoate (ibuprofen, R2), and 2-(4-isobutylphenyl)propanoate of 2-methyl-2-(nitrososulfanyl)propyl (naproxen, R3) was performed using IR spectroscopy (IR) in solvents with increasing polarity (CCl4, CH3Cl, and CH3CN), and theor. calculations, to determine the preferential conformer and the potential of these compounds to release nitric oxide (NO). S-Nitrosothiols were synthesized by esterification reactions, using chlorides of the corresponding carboxylic acids, with good yields (~60%). IR results showed that these compounds presented only one conformation, and the exptl. data were supported by the theor. results obtained by d. functional theory (DFT) calculations using the 6311+G (2df, 2p) basis set. The calculations revealed that all S-nitrosothiols presented one preferential anticlinal (ac) geometric conformation, which agrees with the data obtained exptl. in CCl4. These conformers are stabilized by intramol. hydrogen bonds. Examination of the geometry with regard to the R-SNO group revealed that these compounds are preferentially in the trans (anti) conformation. The calculation of the orbital interactions using the Natural Bond Orbital (NBO) method showed that the nO(NO) â†?σ*(S-N) hyper-conjugative interaction increases the S-N bond length. The strong nS â†?π*(NO) interaction and electronic delocalization induces a partial π character to the S-N bond. The weak σS-N bond indicates strong delocalization of the electron pair in O (NO) by the nO(NO) â†?σ*(S-N) interaction, thereby increasing the capacity of NO release from SNO-ESTERS.

Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy published new progress about Atomic charge. 104-01-8 belongs to class isoquinoline, name is 4-Methoxyphenylacetic acid, and the molecular formula is C9H10O3, Computed Properties of 104-01-8.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Senaweera, Sameera published the artcileDecarboxylative Acetoxylation of Aliphatic Carboxylic Acids, Synthetic Route of 104-01-8, the main research area is photocatalytic decarboxylative acetoxylation aliphatic carboxylic acid copper acetate.

Organic mols. bearing acetoxy moieties are important functionalities in natural products, drugs, and agricultural chems. Synthesis of such mols. via transition metal-catalyzed C-O bond formation can be achieved in the presence of a carefully chosen directing group to alleviate the challenges associated with regioselectivity. An alternative approach is to use ubiquitous carboxylic acids as starting materials and perform a decarboxylative coupling. Herein, we report conditions for a photocatalytic decarboxylative C-O bond formation reaction that provides rapid and facile access to the corresponding acetoxylated products. Mechanistic investigations suggest that the reaction operates via oxidation of the carboxylate followed by rapid decarboxylation and oxidation by Cu(OAc)2.

Journal of Organic Chemistry published new progress about Acetoxylation. 104-01-8 belongs to class isoquinoline, name is 4-Methoxyphenylacetic acid, and the molecular formula is C9H10O3, Synthetic Route of 104-01-8.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Chakraborty, Sourav published the artcileRu-gC3N4 Catalyzed Hydrodebenzylation of Benzyl Protected Alcohol and Acid Groups Using Sodium Hypophosphite as a Hydrogen Source, Computed Properties of 104-01-8, the main research area is ruthenium carbon nitride benzyl protected alc hydrodebenzylation sodium hypophosphite.

A straightforward process for hydrodebenzylation of benzyl protected acid and alc. derivatives to the corresponding acids and alcs. using sodium hypophosphite in the presence of Ru-GCN catalyst is reported. The developed Ru-GCN catalyst is cost effective compared to other noble metal-based catalysts and has been explored to exhibit excellent activity for catalytic hydrodebenzylation reactions under moderate reaction conditions. The non-corrosive sodium hypophosphite has been found as a better hydrogen donor compared to alkali metal formats in presence of Ru-GCN catalyst. The stated catalyst was characterized using several spectrometric and material characterization methods such as PXRD, IR, SEM, TEM, XPS, and TGA. The Ru-GCN catalyst corroborated good reusability and stability for multiple cycles. The catalyst preparation is facile and the developed process is simple and safe as it avoids use of high hydrogen pressure. The developed protocol can also be replicated on industrial scale on account of excellent recyclability and retained activity after multiple cycles and makes the process sustainable. Gram scale reaction was performed to verify the industrial potential of reported catalyst.

Catalysts published new progress about Binding energy. 104-01-8 belongs to class isoquinoline, name is 4-Methoxyphenylacetic acid, and the molecular formula is C9H10O3, Computed Properties of 104-01-8.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Xu, Yuan published the artcileDesign, synthesis and evaluation of new 4-arylthiazole-2-amine derivatives as acetylcholinesterase inhibitors, Application In Synthesis of 104-01-8, the main research area is aryl thiazolamine preparation acetylcholinesterase inhibitor; Acetylcholinesterase inhibitor; Alzheimer’s disease; Molecular docking.

A series of new 4-arylthiazole-2-amine derivatives I (m = 1,2,3,4; n = 0,1; R1 = pyrrolidin-1-yl, piperidin-1-yl, 1-benzylpiperidin-4-yl, etc.; R2 = H, OMe; R3 = OMe; R4 = H, OMe) as acetylcholinesterase inhibitors (AChEIs) were designed and synthesized, Furthermore, their inhibitory activities against acetylcholinesterase in vitro were tested by Ellman spectrophotometry, and the results of inhibitory activity test showed that most of them had a certain acetylcholinesterase inhibitory activity in vitro. Moreover, the IC50 value of compound I (m = 3; n = 1; R1 = pyrrolidin-1-yl; R2 = H; R3 = OMe; R4 = OMe) was 0.66μM, which was higher than that of Rivastigmine and Huperzine-A as reference compounds, and it had a weak inhibitory effect on butyrylcholinesterase. The potential binding mode of above compound with AChE was investigated by the mol. docking, and the results showed that it was strongly bound up with AChE with the optimal conformation, in addition, their binding energy reached -11.27 Kcal*mol-1. At last, in silico mol. property of the synthesized compounds were predicted by using Molinspiration online servers. It can be concluded that the lead AChEIs above compound presented satisfactory drug-like characteristics.

Bioorganic & Medicinal Chemistry Letters published new progress about Alzheimer disease. 104-01-8 belongs to class isoquinoline, name is 4-Methoxyphenylacetic acid, and the molecular formula is C9H10O3, Application In Synthesis of 104-01-8.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Hwangbo, Nathan published the artcilePredictive Modeling of Alzheimer′s and Parkinson′s Disease Using Metabolomic and Lipidomic Profiles from Cerebrospinal Fluid, Name: 4-Methoxyphenylacetic acid, the main research area is cerebrospinal fluid metabolomic lipidomic profile Alzheimers Parkinsons disease; biomarker; cerebrospinal fluid; cross-sectional study; neurodegenerative disease; predictive modeling.

In recent years, metabolomics has been used as a powerful tool to better understand the physiol. of neurodegenerative diseases and identify potential biomarkers for progression. We used targeted and untargeted aqueous, and lipidomic profiles of the metabolome from human cerebrospinal fluid to build multivariate predictive models distinguishing patients with Alzheimers disease (AD), Parkinsons disease (PD), and healthy age-matched controls. We emphasize several statistical challenges associated with metabolomic studies where the number of measured metabolites far exceeds sample size. We found strong separation in the metabolome between PD and controls, as well as between PD and AD, with weaker separation between AD and controls. Consistent with existing literature, we found alanine, kynurenine, tryptophan, and serine to be associated with PD classification against controls, while alanine, creatine, and long chain ceramides were associated with AD classification against controls. We conducted a univariate pathway anal. of untargeted and targeted metabolite profiles and find that vitamin E and urea cycle metabolism pathways are associated with PD, while the aspartate/asparagine and c21-steroid hormone biosynthesis pathways are associated with AD. We also found that the amount of metabolite missingness varied by phenotype, highlighting the importance of examining missing data in future metabolomic studies.

Metabolites published new progress about Alzheimer disease. 104-01-8 belongs to class isoquinoline, name is 4-Methoxyphenylacetic acid, and the molecular formula is C9H10O3, Name: 4-Methoxyphenylacetic acid.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Zhang, Mingjun published the artcileMarine Natural Product for Pesticide Candidate: Pulmonarin Alkaloids as Novel Antiviral and Anti-Phytopathogenic-Fungus Agents, HPLC of Formula: 104-01-8, the main research area is antiviral biofungicide pulmonarin analog preparation antiviral phytopathogenic fungus; antiviral activity; fungicidal activity; marine natural product; mode of action; pulmonarins A and B; structure optimization.

Plant diseases are seriously endangering agricultural production The emergence of drug resistance has brought great challenges to the prevention and control of plant diseases. There is an urgent need for the emergence of new drug candidates. In this work, we achieved the efficient synthesis of pulmonarins A and B in 64% and 59% overall yield, resp. Pulmonarins A and B were found to have good antiviral activities against tobacco mosaic virus (TMV) for the first time. A series of pulmonarin derivatives were designed, synthesized, and evaluated for their antiviral and fungicidal activities systematically. Most compounds displayed higher anti-TMV activities than com. ribavirin. Compounds Pulmonarin B, -Benzyl-2-((3,5-dibromo-4-methoxybenzoyl)oxy)-N,N-dimethylethan-1-aminium Bromide (I), and 2-((4-(Allyloxy)-3,5-dibromobenzoyl)oxy)-N,N,N-trimethylethan-1-aminium Iodide with better inactivation effects than ningnanmycin emerged as new antiviral candidates. We selected I for further antiviral mechanism research, which revealed that it could inhibit virus assembly by interacting with TMV coat protein (CP). The mol. docking results further confirmed that these compounds could interact with CP through hydrogen bonding. These compounds also displayed broad spectrum fungicidal activities. Especially compound 2-(2-(3,5-Dibromo-4-methoxyphenyl)acetoxy)-N,N,N-trimethylethan-1-aminium Iodide with prominent antifungal activity emerged as a new fungicidal candidate for further research. The current work provides a reference for understanding the application of pulmonarin alkaloids in plant protection.

Journal of Agricultural and Food Chemistry published new progress about Alternaria solani. 104-01-8 belongs to class isoquinoline, name is 4-Methoxyphenylacetic acid, and the molecular formula is C9H10O3, HPLC of Formula: 104-01-8.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Yang, Jie published the artcileSynthesis and biological evaluation of 3-arylcoumarins as potential anti-Alzheimer’s disease agents, Safety of 4-Methoxyphenylacetic acid, the main research area is synthesis arylcoumarin Alzheimer disease agent; 3-Arylcoumarin; Alzheimer’s disease; antioxidant activity; cholinesterase inhibitors; monoamine oxidase inhibitors.

Alzheimer’s disease, a neurodegenerative illness, has the extremely complex pathogenesis. Accumulating evidence indicates there is a close relationship between several enzymes and Alzheimer’s disease. Various substituted 3-arylcoumarin derivatives were synthesized, and their in vitro activity, including cholinesterase inhibitory activity, monoamine oxidase inhibitory activity, and antioxidant activity were investigated. Most of the compounds exhibited high activity; therefore 3-arylcoumarin compounds have the potential as drug candidates for the treatment of Alzheimer’s disease.

Journal of Enzyme Inhibition and Medicinal Chemistry published new progress about Alzheimer disease. 104-01-8 belongs to class isoquinoline, name is 4-Methoxyphenylacetic acid, and the molecular formula is C9H10O3, Safety of 4-Methoxyphenylacetic acid.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Abdshahzadeh, Helia published the artcile3-aryl coumarin derivatives bearing aminoalkoxy moiety as multi-target-directed ligands against Alzheimer’s disease, COA of Formula: C9H10O3, the main research area is coumarin derivative aminoalkoxy moiety ligand Alzheimer neuroprotectant; 3-phenylcoumarin; Alzheimer’s disease; cholinesterase; neuroprotective activity; synthesis design; β-amyloid.

Two series of novel coumarin derivatives, substituted at 3 and 7 positions with aminoalkoxy groups, are synthesized, characterized, and screened. The effect of amine substituents and the length of cross-linker are investigated in acetyl- and butyrylcholinesterase (AChE and BuChE) inhibition. Target compounds show moderate to potent inhibitory activities against AChE and BuChE. 3-(3,4-Dichlorophenyl)-7-[4-(diethylamino)butoxy]-2H-chromen-2-one (4y) is identified as the most potent compound against AChE (IC50=0.27 μM). Kinetic and mol. modeling studies affirmed that compound 4y works in a mixed-type way and interacts simultaneously with the catalytic active site (CAS) and peripheral anionic site (PAS) of AChE. In addition, compound 4y blocks β-amyloid (Aβ) self-aggregation with a ratio of 44.11 % at 100 μM and significantly protects PC12 cells from H2O2-damage in a dose-dependent manner.

Chemistry & Biodiversity published new progress about Alzheimer disease. 104-01-8 belongs to class isoquinoline, name is 4-Methoxyphenylacetic acid, and the molecular formula is C9H10O3, COA of Formula: C9H10O3.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Neumann, William L. published the artcileSynthesis and structure-activity relationships of 3,4,5-trisubstituted-1,2,4-triazoles: high affinity and selective somatostatin receptor-4 agonists for Alzheimer′s disease treatment, SDS of cas: 104-01-8, the main research area is somatostatin receptor agonist triazole SAR affinity Alzheimer disease treatment.

Somatostatin receptor-4 (SST4) is highly expressed in brain regions affiliated with learning and memory. SST4 agonist treatment may act to mitigate Alzheimer′s disease (AD) pathol. An integrated approach to SST4 agonist lead optimization is presented herein. High affinity and selective agonists with biol. efficacy were identified through iterative cycles of a structure-based design strategy encompassing computational methods, chem., and preclin. pharmacol. 1,2,4-Triazole derivatives of our previously reported hit (4) showed enhanced SST4 binding affinity, activity, and selectivity. Thirty-five compounds showed low nanomolar range SST4 binding affinity, 12 having a Ki < 1 nM. These compounds showed >500-fold affinity for SST4 as compared to SST2A. SST4 activities were consistent with the resp. SST4 binding affinities (EC50 < 10 nM for 34 compounds). Compound 208 (SST4Ki = 0.7 nM; EC50 = 2.5 nM; >600-fold selectivity over SST2A) display a favorable physiochem. profile, and was advanced to learning and memory behavior evaluations in the senescence accelerated mouse-prone 8 model of AD-related cognitive decline. Chronic administration enhanced learning with i.p. dosing (1 mg kg-1) compared to vehicle. Chronic administration enhanced memory with both i.p. (0.01, 0.1, 1 mg kg-1) and oral (0.01, 10 mg kg-1) dosing compared to vehicle. This study identified a novel series of SST4 agonists with high affinity, selectivity, and biol. activity that may be useful in the treatment of AD.

RSC Medicinal Chemistry published new progress about Affinity (binding). 104-01-8 belongs to class isoquinoline, name is 4-Methoxyphenylacetic acid, and the molecular formula is C9H10O3, SDS of cas: 104-01-8.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Lekkala, Chinnari published the artcileCopper-Catalyzed One-Pot Synthesis of 2,5-Disubstituted 1,3,4-Oxadiazoles from Arylacetic Acids and Hydrazides via Dual Oxidation, HPLC of Formula: 104-01-8, the main research area is arylacetic acid hydrazide cuprous chloride catalyst oxidative decarboxylation heterocyclization; phenyl oxadiazole preparation.

A simple and efficient protocol was developed to access sym. and unsym. 2,5-disubstituted 1,3,4-oxadiazoles from arylacetic acids and hydrazides via copper-catalyzed dual oxidation under an oxygen atm. Oxidative decarboxylation of arylacetic acids and oxidative functionalization of the imine C-H bond were the key steps. This was the first example of the synthesis of 2,5-disubstituted 1,3,4-oxadiazoles through dual oxidation in one-pot. Avoidance of the expensive ligand and high yield of the products were advantageous features of the developed method.

ACS Omega published new progress about C-H bond activation. 104-01-8 belongs to class isoquinoline, name is 4-Methoxyphenylacetic acid, and the molecular formula is C9H10O3, HPLC of Formula: 104-01-8.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem