Category: 104-01-8

Ren, Zili published the artcileConstruction of oxime ester derivatives of osthole from Cnidium monnieri, and evaluation of their agricultural activities and control efficiency, Application In Synthesis of 104-01-8, the main research area is Cnidium monnieri agricultural activity osthole oxime ester derivative; agricultural activity; natural product; osthole; oxime esters; structural modification.

In order to discover natural-product-based pesticidal candidates, a series of coumarin-like derivatives containing oxime ester fragments at the C-8 position were prepared by structural modification of osthole, a natural plant product isolated from Cnidium monnieri. Their pesticidal activities were evaluated against two typically fruit trees/crop-threatening agricultural pests, Mythimna separata Walker and Tetranychus cinnabarinus Boisduval. Osthole was regioselectively oxidized by selenium dioxide to give the E-isomer, (2′E)-3′-formaldehydylosthole (2). Four key steric structures of 2, (2′E, 4′E)-(o-chloropyrid-3-ylcarbonyl)oximinylosthole (4o), (2′E, 4′E)-(styrylcarbonyl)oximinylosthole (4t), and (2′E, 4′E)-(acetyl)oximinylosthole (4w) were undoubtedly confirmed by X-ray crystallog. Against T. cinnabarinus, it is noteworthy that (2′E, 4′E)-(p-chlorophenylcarbonyl)oximinylosthole (4c) exhibited over three-fold more potent acaricidal activity of the precursor osthole, with especially good control efficiency observed in the glasshouse. Against M. separata, compounds 4c and (2′E, 4′E)-(p-nitrophenylcarbonyl)oximinylosthole (4f) showed the most pronounced growth inhibitory activity. The relationships between their structures and agricultural activities also were studied. These results demonstrate that compound 4c could be further structurally modified as pesticidal agents. It will lay the foundation for future application of osthole derivatives as pesticides.

Pest Management Science published new progress about Acaricides. 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

Hussain, Mulla Althafh published the artcileTotal synthesis of (±)-aspidostomide B, C, regioisomeric N-methyl aspidostomide D and their derivatives, Product Details of C9H10O3, the main research area is aspidostomide B C D analog regioselective synthesis; cyclization total synthesis aspidostomide B C D; dehydration total synthesis aspidostomide B C D; regioselective ring opening total synthesis aspidostomide B C D.

A full account of the total synthesis of aspidostomide B, C, their analogs and our synthetic efforts towards the synthesis of aspidostomide D, which led to the synthesis of regioisomeric N-Me aspidostomide D, its analogs via epoxide opening strategy is presented. The synthesis of regioisomeric N-Me aspidostomide D involves an efficient, five-step sequence, with 36.3% overall yield, starting from 3,4,5-tribromo-1H-pyrrole-2-carboxylic acid. The key features of this protocol are intramol. cyclization, dehydration, oxidation, and a Lewis acid-mediated regioselective epoxide ring opening by C-3 position of 2,5-dibromo-1H-indole to furnish the title compounds

Tetrahedron Letters published new progress about Cyclization. 104-01-8 belongs to class isoquinoline, name is 4-Methoxyphenylacetic acid, and the molecular formula is C9H10O3, Product Details of C9H10O3.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Mirabile, Salvatore published the artcileEvaluation of 4-(4-Fluorobenzyl)piperazin-1-yl]-Based Compounds as Competitive Tyrosinase Inhibitors Endowed with Antimelanogenic Effects, Formula: C9H10O3, the main research area is fluorobenzylpiperazinyl derivative tyrosinase inhibitor antimelanogenic; Docking studies; Homology model; Kinetic mechanism; Synthesis; Tyrosinase inhibitors.

There is a considerable attention for the development of inhibitors of tyrosinase (TYR) as therapeutic strategy for the treatment of hyperpigmentation disorders in humans. Continuing in our efforts to identify TYR inhibitors, we describe the design, synthesis and pharmacophore exploration of new small mols. structurally characterized by the presence of the 4-fluorobenzylpiperazine moiety as key pharmacophoric feature for the inhibition of TYR from Agaricus bisporus (AbTYR). Our investigations resulted in the discovery of the competitive inhibitor [4-(4-fluorobenzyl)piperazin-1-yl]-(3-chloro-2-nitro-phenyl)methanone 26 (I, IC50=0.18μM) that proved to be ∼100-fold more active than reference compound kojic acid (IC50=17.76μM). Notably, compound 26 exerted antimelanogenic effect on B16F10 cells in absence of cytotoxicity. Docking anal. suggested its binding mode into AbTYR and into modelled human TYR.

ChemMedChem published new progress about Drug safety. 104-01-8 belongs to class isoquinoline, name is 4-Methoxyphenylacetic acid, and the molecular formula is C9H10O3, Formula: C9H10O3.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Awasthi, Garima published the artcileDe-novo hybrid protein design for biodegradation of organophosphate pesticides, SDS of cas: 104-01-8, the main research area is .

In the present investigation, we attempted to design a protocol to develop a hybrid protein with better bioremediation capacity. Using in silico approaches, a Hybrid Open Reading Frame (Hybrid ORF) is developed targeting the genes of microorganisms known for degradation of organophosphates. Out of 21 genes identified through BLAST search, 8 structurally similar genes (opdA, opd, opaA, pte RO, pdeA, parC, mpd and phnE) involved in biodegradation were screened. Gene conservational anal. categorizes these organophosphates degrading 8 genes into 4 super families i.e., Metallo-dependent hydrolases, Lactamase B, MPP and TM_PBP2 superfamily. Hybrid protein structure was modeled using multi-template homol. modeling (3S07_A; 99%, 1P9E_A; 98%, 2ZO9_B; 33%, 2DXL_A; 33%) by Schrödinger software suit version 10.4.018. Structural verification of protein models was done using Ramachandran plot, it was showing 96.0% residue in the favored region, which was verified using RAMPAGE. The phosphotriesterase protein was showing the highest structural similarity with hybrid protein having raw score 984. The 5 binding sites of hybrid protein were identified through binding site prediction. The docking study shows that hybrid protein potentially interacts with 10 different organophosphates. The study results indicate that the hybrid protein designed has the capability of degrading a wide range of organophosphate compounds

Microbiology and Biotechnology Letters published new progress in CAplus about 104-01-8, 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

Bae, Eun Jung published the artcilePeripheral Selective Oxadiazolylphenyl Alanine Derivatives as Tryptophan Hydroxylase 1 Inhibitors for Obesity and Fatty Liver Disease, Recommanded Product: 4-Methoxyphenylacetic acid, the main research area is oxadiazolylphenyl alanine derivative preparation TPH1 inhibitor obesity fatty liver.

Tryptophan hydroxylase 1 (TPH1) has been recently suggested as a promising therapeutic target for treating obesity and fatty liver disease. A new series of 1,2,4-oxadiazolylphenyl alanine derivatives were identified as TPH1 inhibitors. Among them, compound 23a was the most active in vitro, with an IC50 (half-maximal inhibitory concentration) value of 42 nM, showed good liver microsomal stability, and showed no significant inhibition of CYP and hERG. Compound 23a inhibited TPH1 in the peripheral tissue with limited BBB penetration. In high-fat diet-fed mice, 23a reduced body weight gain, body fat, and hepatic lipid accumulation. Also, 23a improved glucose intolerance and energy expenditure. Taken together, compound 23a shows promise as a therapeutic agent for the treatment of obesity and fatty liver diseases.

Journal of Medicinal Chemistry published new progress about Adipose tissue. 104-01-8 belongs to class isoquinoline, name is 4-Methoxyphenylacetic acid, and the molecular formula is C9H10O3, Recommanded Product: 4-Methoxyphenylacetic acid.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Yao, Peiyuan published the artcileImine Reductase-Catalyzed Enantioselective Reduction of Bulky α,β-Unsaturated Imines en Route to a Pharmaceutically Important Morphinan Skeleton, Name: 4-Methoxyphenylacetic acid, the main research area is imine reductase enantioselective reduction imine morphinan skeleton.

The morphinan skeleton is an important sub-structure in many medicines such as dextromethorphan, and can be constructed from 1-benzyl-1,2,3,4,5,6,7,8-octahydroisoquinoline (1-benzyl-OHIQ) derivatives 1-Benzyl-3,4,5,6,7,8-hexahydroisoquinolines (1-benzyl-HHIQs), the precursors of 1-benzyl-OHIQs, constitute a type of bulky α, β-unsaturated imines. Until now, the application of imine reductases (IREDs) to α, β-unsaturated imines has only rarely been reported. In this study, through evaluation of 48 IREDs, both enantiomers of 1-(4-methoxybenzyl)-1,2,3,4,5,6,7,8-octahydroisoquinoline (1-(4-methoxybenzyl)-OHIQ) were obtained in high yield and excellent optical purity. Among the enzymes, the most steric hindrance-tolerant IRED from Sandarearacinus amylolyticus (IR40) was able to convert various Ph substituted 1-benzyl-HHIQ to the corresponding 1-benzyl-OHIQ derivatives with excellent enantiomeric excess. These results provide an effective route to synthesize these important compounds via enantioselective reduction of bulky α, β-unsaturated imine precursors, which can be readily prepared from 2-(1-cyclohexenyl)ethylamine and corresponding aryl acetic acids.

Advanced Synthesis & Catalysis published new progress about Enzyme kinetics. 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

Fu, Xufeng published the artcileDi-(2-ethylhexyl) phthalate exposure induces female reproductive toxicity and alters the intestinal microbiota community structure and fecal metabolite profile in mice, Application In Synthesis of 104-01-8, the main research area is DEHP reproductive toxicity intestinal microbiota community fecal metabolite; DEHP; female reproductive toxicity; intestinal microbiota; metabolite profile.

Di-(2-ethylhexyl) phthalate (DEHP) is one of the most commonly used plasticizers, and it is widely applied in various plastic products. DEHP is an endocrine-disrupting chem. (EDC) that has been shown to disrupt the function of reproductive system in females. Although many studies have shown that DEHP potentially causes female reproductive toxicity, including depletion of the primordial follicle and decreased sex hormone production, the specific mechanisms by which DEHP affects female reproduction remain unknown. In recent years, research focused on the intestinal flora has provided an idea to eliminate our confusion, and gut bacterial dysbiosis may contribute to female reproductive toxicity. In the present study, the feces of DEHP-exposed mice were collected and analyzed using 16S rRNA amplicon sequencing and untargeted global metabolite profiling of metabolomics. DEHP obviously causes reproductive toxicity, including the ovarian organ coefficient, estradiol level, histol. features of the ovary and estrus. Furthermore, DEHP exposure alters the structure of the intestinal microbiota community and fecal metabolite profile in mice, suggesting that the reproductive toxicity may be caused by gut bacterial dysbiosis and altered metabolites, such as changes in the levels of short-chain fatty acid (SCFA). Addnl., it is well known that changes in gut microbiota and fecal metabolites cause inflammation and tissue oxidative stress, expectedly, we found oxidative stress in the ovary and systemic inflammation in DEHP exposed mice. Thus, based on our findings, DEHP exposure may cause gut bacterial dysbiosis and altered metabolite profiles, particularly SCFA profiles, leading to oxidative stress in the ovary and systemic inflammation to ultimately induce female reproductive toxicity.

Environmental Toxicology published new progress about Actinobacteria. 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

Charitos, Georgios published the artcileSynthesis and anticancer activity of novel 3,6-disubstituted 1,2,4-triazolo[3,4-b]-1,3,4-thiadiazole derivatives, Name: 4-Methoxyphenylacetic acid, the main research area is triazolothiadiazole benzyl aminosulfonyl preparation cytostatic cytotoxic antineoplastic; triazole amino mercapto condensation aromatic arylalkanoic acid.

A series of novel 3,6-disubstituted 1,2,4-triazolo[3,4-b]-1,3,4-thiadiazoles I [R = Ph, 4-MeOC6H4CH2, PhCH:CH, Ph(CH2)3, 4-pyridinyl, etc.] has been designed, synthesized and evaluated as potential anticancer agents. The strategy of combining two chem. different but pharmacol. compatible mols. (the 1,2,4-triazole and 1,3,4-thiadiazole) in one frame has been emphasized. Several of the newly synthesized 1,2,4-triazolo[3,4-b]-1,3,4-thiadiazoles I showed substantial cytostatic and cytotoxic antineoplastic activity in vitro, while they have produced relatively low acute toxicities in vivo, giving potentially high therapeutic ratios. In silico screening has revealed several protein targets including apoptotic protease-activating factor 1 (APAF1) and tyrosine-protein kinase HCK which may be involved in the biol. activities of active analogs.

Arabian Journal of Chemistry published new progress about Acute toxicity. 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

Verma, Krishan K. published the artcileScreening of Some Novel 4, 5 Disubstituted 1, 2, 4-Triazole-3-thiones for Anticonvulsant Activity, SDS of cas: 104-01-8, the main research area is triazole thione anticonvulsant drug screening; GABA-AT; MES; Triazol-3-thiones; anticonvulsant activity; docking; scPTZ..

In the present study, we synthesized fifteen 4, 5-disubstituted 1, 2, 4-triazol- 3-thione derivatives and evaluated for anticonvulsant activity with neurotoxicity determination The synthesized compounds were characterized using FTIR, 1H-NMR and MS. The mol. docking study was also performed to study the interactions of compounds with LYS329 residue of gamma amino butyric acid aminotransferase (GABA-AT) using Autodock 4.2 software. The anticonvulsant activity was assessed by maximal electroshock (MES) test and s.c. pentylenetetrazol (scPTZ) tests. The neurotoxicity was assessed by rotarod ataxia test. In MES test, compounds 5a, 8a and 9a were found active at 100 mg/kg and five compounds were found active at 300 mg/kg dose after 1 h of administration. After 4 h of drug administration, only two compounds 8a and 9a exhibited protection at 100 mg/kg. In scPTZ test, three compounds 2a, 6a and 8a were found active at 100 mg/kg and 7a was active at 300 mg/kg after 1 h of test drug administration. Most of the compounds were found active in MES test with 8a and 9a being the most active among all. In docking study, 2a was found to be best compound based on the binding energy of -6.5 kcal/mol and estimated inhibition constant of 17.2μM. Majority of synthesized compounds were found active in MES test, whereas only few were found to possess anti scPTZ activity. Among all compounds, only 14a caused motor coordination impairment in rotarod ataxia test at 300 mg/kg 1 h duration.

Central Nervous System Agents in Medicinal Chemistry published new progress about Anticonvulsants. 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

Zhang, Yun published the artcileMachine learning bioactive compound solubilities in supercritical carbon dioxide, COA of Formula: C9H10O3, the main research area is machine learning bioactive compound solubility supercritical carbon dioxide.

The supercritical carbon dioxide (s.c.-CO2) is one of promising solvents for supercritical fluid extraction The solubility of bioactive compounds in the s.c.-CO2 is an important factor in designing the extraction process. Obtaining solubility data by experiments requires a large amount of resource and manpower. A model is highly sought if it is simple and can apply to a wide selection of solutes. We develop the Gaussian process regression model to study the relationship among the solute mol. weight, solute m.p., temperature, pressure, s.c.-CO2 d., and solubilities of 30 bioactive compounds in more than 1,000 scenarios. The model manifests a high degree of accuracy and stability, contributing to fast low-cost estimations of solubilities of a variety of bioactive compounds

Chemical Physics published new progress about Bioactive agents. 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