Month: October 2022

Ding, Huai-Wei; Yu, Lu; Bai, Meng-xuan; Qin, Xiao-Chun; Song, Man-tong; Zhao, Qing-Chun published the artcile< Design, synthesis and evaluation of some 1,6-disubstituted-1H-benzo[d]imidazoles derivatives targeted PI3K as anticancer agents>, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is sulfonamido methoxypyridinylbenzoimidazolyl pyrazole preparation; phenyl sulfonamido methoxypyridinylbenzoimidazole preparation; antitumor activity kinase inhibition study SAR mol docking; Antitumor; Benzo[d]imidazole; PI3K.

A series of 1,6-disubstituted-1H-benzo[d]imidazoles derivatives I [R5 = Me, (2,4-difluorophenyl)methyl; R2 = 3-hydroxypropyl, 3-methoxy-3-oxopropyl, 3-(morpholin-4-yl)propyl, etc.] and II [R5 = Me, (2,4-difluorophenyl)methyl; R3 = H, methoxy; R4 = 3-hydroxypropyl, 3-methoxy-3-oxopropyl, 3-(morpholin-4-yl)propyl, etc.] designed, synthesized and evaluated their anticancer activity and the compound II [R5 = (2,4-difluorophenyl)methyl; R3 = H; R4 = 3-hydroxypropyl] was identified as a lead compound Compound II [R5 = (2,4-difluorophenyl)methyl; R3 = H; R4 = 3-hydroxypropyl] with the most potent antiproliferative activity was selected for further biol. mechanism. The PI3K kinase assay showed potent efficiency against four subtypes of PI3K with an IC50 of 0.5-1.9 nM. Mol. docking showed a possible formation of H-bonding with essential amino acid residues. Meanwhile, western blot assay indicated that compound II [R5 = (2,4-difluorophenyl)methyl; R3 = H; R4 = 3-hydroxypropyl] inhibited cell proliferation via suppression of PI3K kinase activity and subsequently blocked PI3K/Akt pathway activation in HCT116 cells. In addition, compound II [R5 = (2,4-difluorophenyl)methyl; R3 = H; R4 = 3-hydroxypropyl] inhibited the migration and invasion ability of HCT116 cells and induced apoptosis of HCT116 cells.

Bioorganic Chemistry published new progress about Antitumor agents. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate.

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

Lu, Can; Chen, Xi; Yan, Yuanliang; Ren, Xinxin; Wang, Xiang; Peng, Bi; Cai, Yuan; Liang, Qiuju; Xu, Zhijie; Peng, Jinwu published the artcile< Aberrant expression of ADARB1 facilitates temozolomide chemoresistance and immune infiltration in glioblastoma>, Computed Properties of 112-63-0, the main research area is glioblastoma immune infiltration ADARB1 temozolomide chemoresistance tumorigenesis prognosis bioinformatics; ADARB1; akt; glioblastoma; immune; temozolomide.

Chemoresistance, especially temozolomide (TMZ) resistance, is a major clin. challenge in the treatment of glioblastoma (GBM). Exploring the mechanisms of TMZ resistance could help us identify effective therapies. Adenosine deaminases acting on RNA (ADARs) are very important in RNA modification through regulating the A-to-I RNA editing. Recent studies have shown that ADARs regulate multiple neurotransmitter receptors, which have been linked with the occurrence and progress of GBM. Here, data from several bioinformatics databases demonstrated that adenosine deaminase RNA specific B1 (ADARB1), also named ADAR2, was upregulated in both GBM tissues and cells, and had the prognostic value in GBM patients. Moreover, ADARB1 was found to be involved in AKT-mediated TMZ resistance in GBM cells. The KEGG anal. of ADARB1-associated co-expressed genes showed that ADARB1 was potentially involved in the mitochondrial respiratory chain complex. TISIDB and GEPIA databases were further used to analyze the role of ADARB1 in tumor-immune system interactions in GBM. These findings deepened our understanding of the function of ADARB1 in tumorigenesis and therapeutic response in GBM. aberrant expression of ADARB1 facilitates temozolomide chemoresistance and immune infiltration in human with glioblastoma

Frontiers in Pharmacology published new progress about Animal gene Role: BSU (Biological Study, Unclassified), BIOL (Biological Study) (TAP2). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Computed Properties of 112-63-0.

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

Ghilardi, Carmen; Moreira-Barbosa, Catarina; Brunelli, Laura; Ostano, Paola; Panini, Nicolo; Lupi, Monica; Anastasia, Alessia; Fiordaliso, Fabio; Salio, Monica; Formenti, Laura; Russo, Massimo; Arrigoni, Edoardo; Chiaradonna, Ferdinando; Chiorino, Giovanna; Draetta, Giulio; Marszalek, Joseph R.; Vellano, Christopher P.; Pastorelli, Roberta; Bani, MariaRosa; Decio, Alessandra; Giavazzi, Raffaella published the artcile< PGC1α/β expression predicts therapeutic response to oxidative phosphorylation inhibition in ovarian cancer>, Quality Control of 112-63-0, the main research area is PGC1alpha beta anticancer oxidative phosphorylation inhibitor ovarian cancer.

Ovarian cancer is the deadliest gynecol. cancer, and novel therapeutic options are crucial to improve overall survival. Here we provide evidence that impairment of oxidative phosphorylation (OXPHOS) can help control ovarian cancer progression, and this benefit correlates with expression of the two mitochondrial master regulators PGC1α and PGC1β. In orthotopic patient-derived ovarian cancer xenografts (OC-PDX), concomitant high expression of PGC1α and PGC1β (PGC1α/β) fostered a unique transcriptional signature, leading to increased mitochondrial abundance, enhanced tricarboxylic acid cycling, and elevated cellular respiration that ultimately conferred vulnerability to OXPHOS inhibition. Treatment with the respiratory chain complex I inhibitor IACS-010759 caused mitochondrial swelling and ATP depletion that consequently delayed malignant progression and prolonged the lifespan of high PGC1α/β-expressing OC-PDX-bearing mice. Conversely, low PGC1α/β OC-PDXs were not affected by IACS-010759, thus pinpointing a selective antitumor effect of OXPHOS inhibition. The clin. relevance of these findings was substantiated by anal. of ovarian cancer patient datasets, which showed that 25% of all cases displayed high PGC1α/β expression along with an activated mitochondrial gene program. This study endorses the use of OXPHOS inhibitors to manage ovarian cancer and identifies the high expression of both PGC1α and β as biomarkers to refine the selection of patients likely to benefit most from this therapy.

Cancer Research published new progress about Acute myeloid leukemia. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Quality Control of 112-63-0.

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

Lima, Marta L.; Tulloch, Lindsay B.; Corpas-Lopez, Victoriano; Carvalho, Sandra; Wall, Richard J.; Milne, Rachel; Rico, Eva; Patterson, Stephen; Gilbert, Ian H.; Moniz, Sonia; MacLean, Lorna; Torrie, Leah S.; Morgillo, Carmine; Horn, David; Zuccotto, Fabio; Wyllie, Susan published the artcile< Identification of a proteasome-targeting arylsulfonamide with potential for the treatment of Chagas′ disease>, Application In Synthesis of 112-63-0, the main research area is screening arylsulfonamide proteasome target Trypanosoma cruzi Chagas disease.

Phenotypic screening identified an arylsulfonamide compound with activity against Trypanosoma cruzi, the causative agent of Chagas′ disease. Comprehensive mode of action studies revealed that this compound primarily targets the T. cruzi proteasome, binding at the interface between β4 and β5 subunits that catalyze chymotrypsin-like activity. A mutation in the β5 subunit of the proteasome was associated with resistance to compound 1, while overexpression of this mutated subunit also reduced susceptibility to compound 1. Further genetically engineered and in vitro-selected clones resistant to proteasome inhibitors known to bind at the β4/β5 interface were cross-resistant to compound 1. Ubiquitinated proteins were addnl. found to accumulate in compound 1-treated epimastigotes. Finally, thermal proteome profiling identified malic enzyme as a secondary target of compound 1, although malic enzyme inhibition was not found to drive potency. These studies identify a novel pharmacophore capable of inhibiting the T. cruzi proteasome that may be exploitable for anti-chagasic drug discovery.

Antimicrobial Agents and Chemotherapy published new progress about Chagas disease. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Application In Synthesis of 112-63-0.

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

Khodabakhshi, Elham; Kloeckner, Benjamin; Zentel, Rudolf; Michels, Jasper J.; Blom, Paul W. M. published the artcile< Suppression of electron trapping by quantum dot emitters using a grafted polystyrene shell>, Synthetic Route of 71195-85-2, the main research area is electron trapping quantum dot emitter grafted polystyrene shell.

A fundamental problem of adding chromophores to an organic host is that their smaller band gap leads to severe trapping of either electrons or holes, resulting in strongly unbalanced transport. We demonstrate that electron trapping by an inorganic quantum dot (QD) in a conjugated polymer host can be suppressed by functionalizing its shell with a thin insulating polystyrene layer. The polystyrene shell not only reduces trapping, but also suppresses detrapping of captured electrons, resulting in increased charging of the QDs with subsequent voltage scans, after initial charging, a red-emitting hybrid polymer:QD light-emitting diode is obtained with voltage independent electroluminescence spectrum and equal efficiency as the blue polymer host.

Materials Horizons published new progress about Band gap Role: PEP (Physical, Engineering or Chemical Process), PRP (Properties), PROC (Process). 71195-85-2 belongs to class esters-buliding-blocks, and the molecular formula is C9H3F5O2, Synthetic Route of 71195-85-2.

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

Jimenez-Garcia, Sandra N.; Garcia-Mier, Lina; Ramirez-Gomez, Xochitl S.; Aguirre-Becerra, Humberto; Escobar-Ortiz, Alexandro; Contreras-Medina, Luis M.; Garcia-Trejo, Juan F.; Feregrino-Perez, Ana A. published the artcile< Pitahaya Peel: A By-Product with Great Phytochemical Potential, Biological Activity, and Functional Application>, Electric Literature of 112-63-0, the main research area is hypertension pitahaya peel byproduct betalain biol activity flavonoid antioxidant; Hylocerous spp.; biological activity; phenolic compounds.

Hylocereus spp. present two varieties of com. interest due to their color, organoleptic characteristics, and nutritional contribution, such as Hylocerous polyrhizus and Selenicerus undatus. The fruit recognized as dragon fruit or Pitahaya is an exotic fruit whose pulp is consumed, while the peel is discarded during the process. Studies indicate that the pulp has vitamin C and betalains, and seeds are rich in essential fatty acids, compounds that can contribute to the prevention of chronic non-communicable diseases (cancer, hypertension, and diabetes). In the present study, polyphenolic compounds, biol. activity, and fatty acids present in the peel of the two varieties of pitahaya peel were evaluated, showing as a result that the variety S. undatus had higher antioxidant activity with 51% related to the presence of flavonoids 357 mgRE/g sample and fatty acids (hexadecanoic acid and linoleate) with 0.310 and 0.248 mg AG/g sample, resp. On the other hand, H. polyrhizuun showed a significant difference in the inhibitory activity of amylase and glucosidase enzymes with 68% and 67%, resp. We conclude that pitahaya peel has potential health effects and demonstrate that methylated fatty acids could be precursors to betalain formation, as well as showing effects against senescence and as a biol. control against insects; in the same way, the peel can be reused as a byproduct for the extraction of important enzymes in the pharmaceutical and food industry.

Molecules published new progress about Alkanes Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Electric Literature of 112-63-0.

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

Wang, Shengju; Jiang, Huajuan; Liu, Qianqian; Zhou, Yongfeng; Cheng, Yanfen; Zhou, Tao; Zhang, Jinming; He, Yao; Ren, Chaoxiang; Pei, Jin published the artcile< A comparative study on the traditional versus modern yellow rice wine processing methods using Taohong Siwu Decoction for pharmaceutical production>, Quality Control of 112-63-0, the main research area is metabolomics yellow rice wine processing method Taohong Siwu decoction; Catalpol; Ferulic acid; Hydroxysafflor yellow A; Metabolomics; Primary dysmenorrhea; Taohong Siwu decoction; Yellow rice wine processing method.

Taohong Siwu Decoction (THSWD) is based on the “”First Recipe of Gynecol””. It is widely used in various blood stasis and deficiency syndromes, mainly in gynecol. blood stasis, irregular menstruation, and dysmenorrhea. THSWD has great demand in traditional Chinese medicine (TCM), gynecol., orthopedics, and internal medicine. According to classical records, three medicinal materials, namely Rehmanniae radix, Angelica sinensis, and Carthamus tinctorius, used in THSWD need to be “”washed with yellow rice wine””. In the study of TCM prescriptions, the processing methods of medicinal materials not only needed to follow traditional records but also should consider modern tech. conditions. Many medicinal materials in the repertoire of classical prescriptions involve yellow rice wine processing. Determining the processing method for medicinal materials is a key and difficult problem in the research and development of classical prescriptions. With THSWD as the representative, this study analyzed differences between no processing method, the modern processing method of “”stir-frying the materials with yellow rice wine,”” and the traditional processing method of “”washing with yellow rice wine””. We focused on three aspects: composition, efficacy, and endogenous metabolism This study aimed to provide a reference for research on the processing methods of medicinal materials used in classical prescriptions. UPLC-Q-Orbitrap HRMS was used to quickly identify and classify the main chem. compounds of THSWD. A model of primary dysmenorrhea (PD) was established using estradiol benzoate combined with oxytocin. The latent period and writhing time; the levels of serum PGF2α, PGE2, ET-1, and β-EP; and the pathol. sections of the uterus were observed to determine their pharmacodynamic differences. GC-TOF/MS was used to analyze the differences in serum metabolites in rats. A total of 54 active compounds were identified, and the results showed that catalpol and rehmapicroside disappeared following yellow rice wine processing. Compared with materials processed by the traditional method, the relative contents of 15 components, such as 5-hydroxymethylfurfural and digitalis C, increased in materials processed by the modern method. However, the relative contents of 16 components, such as hydroxysafflor yellow A, verbascoside, and ferulic acid, decreased in the modern processing method. The modern and classic processing methods acted on PD through different metabolic pathways. THSWD obtained by classical processing methods mainly treated PD through anti-inflammatory and estrogen metabolism pathways, whereas THSWD obtained by modern processing methods mainly treated PD through anti-inflammatory metabolic pathways. The study revealed the differences in different yellow rice wine processing methods in terms of chem. composition of the THSWD obtained, as well as the mechanisms of action for the treatment of PD. This study provides a reference for the clin. application of THSWD and development of classical prescription preparations

Journal of Ethnopharmacology published new progress about Angelica sinensis. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Quality Control of 112-63-0.

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

Li, Quan-Zhe; Lian, Peng-Fei; Tan, Fu-Xin; Zhu, Guo-Dong; Chen, Chao; Hao, Yu; Jiang, Wei; Wang, Xun-Hui; Zhou, Jia; Zhang, Shu-Yu published the artcile< Organocatalytic Enantioselective Construction of Heterocycle-Substituted Styrenes with Chiral Atropisomerism>, Electric Literature of 112-63-0, the main research area is heterocycle substituted phenylvinylnaphthaleneamine enantioselective preparation; indole arylaminoalkynylnaphthalene enantioselective addition organocatalyst; hydroxycoumarin arylaminoalkynylnaphthalene enantioselective addition organocatalyst.

We have developed a novel π-π interaction and dual H-bond concerted control strategy to construct axially chiral naphthylamine heterocycles. With ortho-alkynyl-naphthylamines as the electrophile, indoles and 4-hydroxycoumarins were efficiently employed to construct axially chiral skeletons in good yields and with excellent enantioselectivities (up to 97% enantiomeric excess). Furthermore, the resulting products could be converted to potential squaramides featuring organic catalysts.

Organic Letters published new progress about 4-Hydroxycoumarins Role: RCT (Reactant), RACT (Reactant or Reagent). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Electric Literature of 112-63-0.

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

Ouyang, Yani; Yue, Xiaoguang; Peng, Jiehai; Zhu, Jiashun; Shen, Qiuyuan; Li, Wanmei published the artcile< Organic acid catalysed Minisci-type arylation of heterocycles with aryl acyl peroxides>, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is aryl heterocycle preparation trifluoroacetic acid; heterocycle aryl acyl peroxide arylation.

A metal-free method for the Minisci-type arylation of heterocycles with aryl acyl peroxides has been reported. This strategy enables the rapid and simple synthesis of a series of Minisci-type adducts from com. available starting materials without metal catalysts. A free-radical-pathway mechanism is suggested for this transformation.

Organic & Biomolecular Chemistry published new progress about Arylation. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate.

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

Fabra, F.; Galvez, C.; Gonzalez, A.; Viladoms, P.; Vilarrasa, J. published the artcile< Fluoroazoles. II. Synthesis and proton and fluorine-19 NMR spectra of 2-, 4-, and 5-fluoro-1-methylimidazole>, SDS of cas: 112-63-0, the main research area is imidazole fluoro methyl NMR; NMR fluorine fluoromethylimidazole.

The three possible ring-monofluorinated N-methylimidazoles were prepared by photochem. irradiation of the corresponding diazonium tetrafluoroborates. 5-Fluoro-1-methylimidazole was also obtained by methylation of 1-acetyl-4-fluoroimidazole. The 1H and 19F NMR spectra of these N-methylated fluoroazoles are compared, and the predominance of one tautomeric form in 4(5)-fluoroimidazole is discussed.

Journal of Heterocyclic Chemistry published new progress about NMR (nuclear magnetic resonance). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, SDS of cas: 112-63-0.

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