Category: 4707-47-5

Lee, Isabelle;Na, Mihwa;O’Brien, Devin;Parakhia, Rahul;Alepee, Nathalie;Westerink, Walter;Eurlings, Irene;Api, Anne Marie published 《Assessment of the skin sensitization potential of fragrance ingredients using the U-SENS assay》 in 2022. The article was appeared in 《Toxicology In Vitro》. They have made some progress in their research.Quality Control of Methyl 2,4-dihydroxy-3,6-dimethylbenzoate The article mentions the following:

The U-SENS assay was developed to address the third key event of the skin sensitization adverse outcome pathway (AOP) and is described in OECD test guideline 442E, Annex II. A dataset of 68 fragrance ingredients comprised of 7 non-sensitizers and 61 sensitizers was tested in the U-SENS assay. The potential for fragrance ingredients to activate dendritic cells, measured by U-SENS, was compared to the sensitization potential determined by weight of evidence (WoE) from historical data. Of the non-sensitizers, 4 induced CD86 cell surface marker ≥1.5-fold while 3 did not. Of the sensitizers, 50 were predicted to be pos. in U-SENS, while the remaining 11 were neg. Pos. and neg. predictive values (PPV and NPV) of U-SENS were 93% and 21%, resp. No specific chem. property evaluated could account for misclassified ingredients. Assessment of parent and metabolite protein binding alerts in silico suggests that parent chem. metabolism may play a role in CD86 activation in U-SENS. Combining the U-SENS assay in a “2 out of 3” defined approach with the direct peptide reactivity assay (DPRA) and KeratinoSens predicted sensitization hazard with PPV and NPV of 97% and 24%, resp. Combining complementary in silico and in vitro methods to the U-SENS assay should be integrated to define the hazard classification of fragrance ingredients, since a single NAM cannot replace animal-based methods. The experimental procedure involved many compounds, such as Methyl 2,4-dihydroxy-3,6-dimethylbenzoate (cas: 4707-47-5) .

Methyl 2,4-dihydroxy-3,6-dimethylbenzoate(4707-47-5) is used in biological study as role of androgens in inducing distinct response of epithelial-mesenchymal transition factors in human prostate cancer cells.Quality Control of Methyl 2,4-dihydroxy-3,6-dimethylbenzoate

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Wu, Luyi;Gu, Muen;Zhu, Yi;Liu, Huirong;Qin, Wenzheng;Huang, Yan;Dou, Chuanzi;Yuan, Lingsong;Lu, Ying;Zhou, Cili;Li, Jing published 《Urine metabonomic research of herbs-partition moxibustion with matching mu points in UC rats based on UPLC-Q/TOF MS》. The research results were published in《Shijie Zhongyiyao》 in 2016.Category: esters-buliding-blocks The article conveys some information:

To explore the mechanism of herbs-partition moxibustion with the matching mu points in treating UC rats based on metabonomic with UPLC-Q/TOF MS. Methods: Sprague-Dawley rats of 27 cases were randomly divided into normal group, model group, herbs-partition moxibustion with the matching mu points group. The UC rat model was established by drinking DSS aqueous solution In herbs-partition moxibustion with the matching mu points group, each point moxibustion with 2 moxa cones, once per day, and lasting for 14 days. After moxibustion treatment, all groups urine was analyzed with UPLC-Q/TOF MS. The acquired data were analyzed using principal component anal. (PCA) and partial least squares discriminant anal. (PLS-DA). The potential biomarkers and metabolic pathways were analyzed by Metlin (http://metlin.scripps. edu/), KEGG (http: //www.kegg.jp), HMDB (http: //www.hmdb.ca), MetaboAnalyst 3.0 (http: //www.metaboanalyst.ca). Results: Under both pos. ion model and neg. ion model, the separation trends of 3 groups urine were good. Herbs-partition moxibustion with the matching mu points effectively reduced in 6 different metabolites expression, such as L-cysteine, atraric acid, tocopheronic acid, di-Bu malate, L-tyrosine, L-pipecolic acid, which increased in model group. All 6 different metabolites above were mainly related to amino acid metabolic pathways, such as phenylalanine, tyrosine and tryptophan biosynthesis, cysteine and methionine metabolism, tyrosine metabolism, and so on. Conclusion: The mechanism of herbs-partition moxibustion with the matching mu points in treating UC may mainly relate to amino acid metabolism To complete the study, the researchers used Methyl 2,4-dihydroxy-3,6-dimethylbenzoate (cas: 4707-47-5) .

Methyl 2,4-dihydroxy-3,6-dimethylbenzoate(4707-47-5) is used in biological study as role of androgens in inducing distinct response of epithelial-mesenchymal transition factors in human prostate cancer cells.Category: esters-buliding-blocks

Reference:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Ye, Feng-mei;Xie, Yang-guo;Zhu, Yan;Ren, Jie;Wang, Xing;Yan, Shi-kai;Jin, Hui-zi published 《Chemical constituents of branches and leaves of Illicium wardii A. C. Smith》 in 2015. The article was appeared in 《Tianran Chanwu Yanjiu Yu Kaifa》. They have made some progress in their research.Related Products of 4707-47-5 The article mentions the following:

The aim is to investigate chem. constituents of the branches and leaves of Illicium wardii A. C. Smith. Chem. constituents were isolated by using column chromatog. from 95% ethanol extracts of the branches and leaves of I. wardii. Their structures were elucidated by NMR, IR and MS techniques. Fifteen compounds were obtained and identified as β-sitosterol(1), hexacosane(2), dunnianol(3), tetratriacontanol(4), isorhamnetin-3-O-β-D-rutinoside(5), acernikol(6), subamone(7), methyl-β-orsellinate(8), hinokinin(9), magnolol(10), protocatechuic acid(11), isodunnianol(12), vitrifol A(13), (+)-dihydrodehydrodiconiferyl alc.(14) and (-)-massoniresinol(15). Compounds 2-15 were obtained from this plant firstly, and compound 7 and 15 were found from illiciaceae family firstly. And Methyl 2,4-dihydroxy-3,6-dimethylbenzoate (cas: 4707-47-5) was used in the research process.

Methyl 2,4-dihydroxy-3,6-dimethylbenzoate(4707-47-5) is used in biological study as role of androgens in inducing distinct response of epithelial-mesenchymal transition factors in human prostate cancer cells.Related Products of 4707-47-5

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Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Abood, Amira;Al-Fahad, Ahmed;Scott, Alan;Hosny, Alaa El-Dein M. S.;Hashem, Amal M.;Fattah, Azza M. A.;Race, Paul R.;Simpson, Thomas J.;Cox, Russell J. published 《Kinetic characterisation of the FAD dependent monooxygenase TropB and investigation of its biotransformation potential》 in 2015. The article was appeared in 《RSC Advances》. They have made some progress in their research.Computed Properties of C10H12O4 The article mentions the following:

Achieving regio-specific hydroxylation of aromatic compounds remains a major challenge in synthetic chem. By contrast, this transformation is readily accomplished in nature through the action of FAD-dependent monooxygenase enzymes. Here, the authors report the kinetic characterization of one such enzyme, TropB, from the stipitatic acid biosynthetic pathway. Analogs of the TropB natural substrate, 3-methyl-orcinaldehyde, were synthesized and used to examine the substrate selectivity of this enzyme. TropB displays broad substrate tolerance, for instance accepting single-ring aromatic substrates containing a range of C-1 substituents with varying electronic and steric properties. These include nitro, nitrosyl, alkyl, and aryl keto groups. Bicyclic substrates, however, were rejected by TropB. Addnl., C-5 substituents on single-ring aromatic substrates were not tolerated whereas the presence of a 6-Me group is important for substrate binding. Docking studies were employed to study and understand the broad substrate selectivity of TropB and identifies the key structural elements of its substrates. The authors′ work showed that TropB is an attractive target for biocatalyst engineering and industrial aromatic hydroxylation. To complete the study, the researchers used Methyl 2,4-dihydroxy-3,6-dimethylbenzoate (cas: 4707-47-5) .

Methyl 2,4-dihydroxy-3,6-dimethylbenzoate(4707-47-5) is used in biological study as role of androgens in inducing distinct response of epithelial-mesenchymal transition factors in human prostate cancer cells.Computed Properties of C10H12O4

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Ester – Wikipedia,
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Deng, Yifan;Zou, Yike;Yang, Chia-Ping H.;Houk, K. N.;Smith, Amos B. III published 《Total Syntheses of (+)-Peniciketals A-B and (-)-Diocollettines A Exploiting a Photoisomerization/Cyclization Union Protocol》 in 2021. The article was appeared in 《Journal of Organic Chemistry》. They have made some progress in their research.Product Details of 4707-47-5 The article mentions the following:

A late-stage photoisomerization/cyclization union tactic, in conjunction with Type I Anion Relay Chem. (ARC), permits enantioselective total syntheses and then biol. evaluation of (+)-peniciketals A (I) and B (II). The photochem. protocol was further showcased by an efficient three-step construction of the architecturally complex polycyclic skeleton found in (-)-diocollettine A (III). The mechanism and diastereoselectivity of the photochem. protocol have also been explored by both experiment and d. functional theory calculations To complete the study, the researchers used Methyl 2,4-dihydroxy-3,6-dimethylbenzoate (cas: 4707-47-5) .

Methyl 2,4-dihydroxy-3,6-dimethylbenzoate(4707-47-5) is used in biological study as role of androgens in inducing distinct response of epithelial-mesenchymal transition factors in human prostate cancer cells.Product Details of 4707-47-5

Reference:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Cetti, Jonathan;Eike, David;Ferrero Vallana, Federico M.;Gunaratne, H. Q. Nimal;Holland, Lynette A. M.;Puga, Alberto V.;Seddon, Kenneth R.;Todini, Oreste published 《Modeling the Vapor-Liquid Equilibria of Ionic Liquids Containing Perfume Raw Materials》 in 2017. The article was appeared in 《Journal of Chemical & Engineering Data》. They have made some progress in their research.Category: esters-buliding-blocks The article mentions the following:

In this work, the vapor-liquid equilibrium of binary and multinary systems comprise perfume raw materials and ionic liquids have been computed using two different models: COSMO-RS, a solvation model, and UNIFAC, a group contribution method. For systems already well-known in the literature, a comparison with exptl. data was performed, and good agreement was observed with both models. Although UNIFAC was not applicable to nonparametrized ionic liquids, COSMO-RS proved very reliable in predicting the vapor-liquid equilibrium of solutions of perfume raw materials in new-to-the-world ionic liquids This opens the door for the prediction and modeling of new formulations for novel consumer products, prior to embarking on detailed exptl. investigations. And Methyl 2,4-dihydroxy-3,6-dimethylbenzoate (cas: 4707-47-5) was used in the research process.

Methyl 2,4-dihydroxy-3,6-dimethylbenzoate(4707-47-5) is used in biological study as role of androgens in inducing distinct response of epithelial-mesenchymal transition factors in human prostate cancer cells.Category: esters-buliding-blocks

Reference:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Pyser, Joshua B.;Baker Dockrey, Summer A.;Benitez, Attabey Rodriguez;Joyce, Leo A.;Wiscons, Ren A.;Smith, Janet L.;Narayan, Alison R. H. published 《Stereodivergent, Chemoenzymatic Synthesis of Azaphilone Natural Products》 in 2019. The article was appeared in 《Journal of the American Chemical Society》. They have made some progress in their research.Reference of Methyl 2,4-dihydroxy-3,6-dimethylbenzoate The article mentions the following:

Selective access to a targeted isomer is often critical in the synthesis of biol. active mols. Whereas small-mol. reagents and catalysts often act with anticipated site- and stereoselectivity, this predictability does not extend to enzymes. Further, the lack of access to catalysts that provide complementary selectivity creates a challenge in the application of biocatalysis in synthesis. Here, we report an approach for accessing biocatalysts with complementary selectivity that is orthogonal to protein engineering. Through the use of a sequence similarity network (SSN), a number of sequences were selected, and the corresponding biocatalysts were evaluated for reactivity and selectivity. With a number of biocatalysts identified that operate with complementary site- and stereoselectivity, these catalysts were employed in the stereodivergent, chemoenzymic synthesis of azaphilone natural products. Specifically, the first syntheses of trichoflectin, deflectin-1a, and lunatoic acid A were achieved. In addition, chemoenzymic syntheses of these azaphilones supplied enantioenriched material for reassignment of the absolute configuration of trichoflectin and deflectin-1a based on optical rotation, CD spectra, and X-ray crystallog. To complete the study, the researchers used Methyl 2,4-dihydroxy-3,6-dimethylbenzoate (cas: 4707-47-5) .

Methyl 2,4-dihydroxy-3,6-dimethylbenzoate(4707-47-5) is used in biological study as role of androgens in inducing distinct response of epithelial-mesenchymal transition factors in human prostate cancer cells.Reference of Methyl 2,4-dihydroxy-3,6-dimethylbenzoate

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Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Ari, Ferda;Ulukaya, Engin;Oran, Seyhan;Celikler, Serap;Ozturk, Sule;Ozel, Mustafa Zafer published 《Promising anticancer activity of a lichen, Parmelia sulcata Taylor, against breast cancer cell lines and genotoxic effect on human lymphocytes》 in 2015. The article was appeared in 《Cytotechnology》. They have made some progress in their research.Application In Synthesis of Methyl 2,4-dihydroxy-3,6-dimethylbenzoate The article mentions the following:

Plants are still to be explored for new anti-cancer compounds because overall success in cancer treatment is still not satisfactory. As a new possible source for such compounds, the lichens are recently taking a great attention. We, therefore, explored both the genotoxic and anti-growth properties of lichen species Parmelia sulcata Taylor. The chem. composition of P. sulcata was analyzed with comprehensive gas chromatog.-time of flight mass spectrometry. Anti-growth effect was tested in human breast cancer cell lines (MCF-7 and MDA-MB-231) by the MTT and ATP viability assays, while the genotoxic activity was studied by assays for micronucleus, chromosomal aberration and DNA fragmentation in human lymphocytes culture. Cell death modes (apoptosis/necrosis) were morphol. assessed. P. sulcata inhibited the growth in a dose-dependent manner up to a dose of 100 μg/mL and induced caspase-independent apoptosis. It also showed genotoxic activity at doses (>125 μg/mL) higher than that required for apoptosis. These results suggest that P. sulcata may induce caspase-independent apoptotic cell death at lower doses, while it may be genotoxic at relatively higher doses.Methyl 2,4-dihydroxy-3,6-dimethylbenzoate (cas: 4707-47-5) were involved in the experimental procedure.

Methyl 2,4-dihydroxy-3,6-dimethylbenzoate(4707-47-5) is used in biological study as role of androgens in inducing distinct response of epithelial-mesenchymal transition factors in human prostate cancer cells.Application In Synthesis of Methyl 2,4-dihydroxy-3,6-dimethylbenzoate

Reference:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Le Pogam, Pierre;Boustie, Joel;Richomme, Pascal;Denis, Antoine;Schinkovitz, Andreas published 《The inherent matrix properties of lichen metabolites in matrix-assisted laser desorption ionization time-of-flight mass spectrometry》 in 2017. The article was appeared in 《Rapid Communications in Mass Spectrometry》. They have made some progress in their research.Name: Methyl 2,4-dihydroxy-3,6-dimethylbenzoate The article mentions the following:

Light-absorbing secondary metabolites from lichens were recently reported to exhibit promising Laser Desorption Ionization (LDI) properties, enabling their direct detection from crude lichen extracts In addition, many of them display close structural homologies to com. Matrix-Assisted Laser Desorption Ionization (MALDI) matrixes, which is incentive for the evaluation of their matrical properties. The current study systematically evaluated the matrix effects of several structural classes of lichen metabolites: monoarom. compounds, quinone derivatives, dibenzofuran-related mols. and the shikimate-derived vulpinic acid. Their matrical properties were tested against a wide range of structurally diverse analytes including alkaloids, coumarins, flavonoids and peptides. Triplicate automatic pos.-ion mode MALDI analyses were carried out and ionization efficiencies were compared with those of structurally related reference matrixes (i.e. DHB, HCCA, dithranol and usnic acid) in terms of (1) analyte absolute intensities and (2) Matrix Suppressing Effect (MSE) scores. Monoarom. lichen metabolites revealed matrical properties similar to those of DHB when obtained under comparable exptl. conditions. Likewise, anthraquinone metabolites triggered ionization of tested analytes in a similar way to the structurally related dithranol. Finally, dibenzofuran derivatives displayed a broad ionization profile, reminiscent of that of (+)-usnic acid. Thus, lichen metabolites exhibit interesting MALDI matrix properties, especially for medium and low mol. weight analytes. For many of the tested mols., matrix ion formation was very limited. This proof-of-concept study paves the way for follow-up studies to assess the matrix properties of lichen metabolites against a wider array of analytes as well as adapting exptl. settings to individually optimize the performance of successfully tested candidates. The experimental procedure involved many compounds, such as Methyl 2,4-dihydroxy-3,6-dimethylbenzoate (cas: 4707-47-5) .

Methyl 2,4-dihydroxy-3,6-dimethylbenzoate(4707-47-5) is used in biological study as role of androgens in inducing distinct response of epithelial-mesenchymal transition factors in human prostate cancer cells.Name: Methyl 2,4-dihydroxy-3,6-dimethylbenzoate

Reference:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Liu, Bing-Lei;Hu, Xin;He, Hua-Liang;Qiu, Lin;Li, You-Zhi;Ding, Wen-Bing published 《A new epicatechin glucopyranoside derivative from Styrax suberifolius》. The research results were published in《Natural Product Research》 in 2020.Category: esters-buliding-blocks The article conveys some information:

A new derivative of epicatechin glucopyranoside, (2R,3R)-3,7,4′-trihydroxy-5,3′-dimethoxyflavan 7-O-β-D-glucopyranoside (1), together with three mononuclear phenolic acid esters, Me orsellinate (2), Et orsellinate (3) and Me β-orcinolcarboxylate (4) were isolated from the bark of Styrax suberifolius. The structures of 1-4 were determined on the basis of extensive anal. of NMR and MS spectra combined with chem. hydrolysis. The antifungal activities of the isolated compounds against three plant pathogenic fungi, Alternaria solani, Fusarium oxysporum and Phomopsis cytospore were evaluated using radial growth inhibition assay. Compounds 2, 3 and 4 exerted selective inhibitory activities against the tested fungi. Among of them, Me β-orcinolcarboxylate (4) exhibited obvious inhibitory effect against P. cytospore, with an inhibition rate of 86.72% at 100μg/mL. To complete the study, the researchers used Methyl 2,4-dihydroxy-3,6-dimethylbenzoate (cas: 4707-47-5) .

Methyl 2,4-dihydroxy-3,6-dimethylbenzoate(4707-47-5) is used in biological study as role of androgens in inducing distinct response of epithelial-mesenchymal transition factors in human prostate cancer cells.Category: esters-buliding-blocks

Reference:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics