Month: October 2022

Chmiel, Alyah F.; Williams, Oliver P.; Chernowsky, Colleen P.; Yeung, Charles S.; Wickens, Zachary K. published the artcile< Non-innocent Radical Ion Intermediates in Photoredox Catalysis: Parallel Reduction Modes Enable Coupling of Diverse Aryl Chlorides>, Synthetic Route of 627-27-0, the main research area is radical ion intermediates photoredox Catalysis parallel reduction mode.

We describe a photocatalytic system that elicits potent photoreductant activity from conventional photocatalysts by leveraging radical anion intermediates generated in situ. The combination of an isophthalonitrile photocatalyst and sodium formate promotes diverse aryl radical coupling reactions from abundant but difficult to reduce aryl chloride substrates. Mechanistic studies reveal two parallel pathways for substrate reduction both enabled by a key terminal reductant byproduct, carbon dioxide radical anion.

Journal of the American Chemical Society published new progress about Borylation (photochem.). 627-27-0 belongs to class alcohols-buliding-blocks, and the molecular formula is C4H8O, Synthetic Route of 627-27-0.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Zhang, Chenghua; Wu, Keliang; Huang, Long; Sun, Kenan; Zou, Yurong; Xiong, Zhihui; Li, Bingke published the artcile< Virtual Screening and Discovery of Matrix Metalloproteinase-12 Inhibitors by Swarm Intelligence Optimization Algorithm-Based Machine Learning>, COA of Formula: C19H16O, the main research area is screening MMP inhibitor swarm intelligence optimization algorithm machine learning.

Matrix metalloproteinase-12 (MMP-12) is an attractive therapeutic target for drug design and discovery for many human conditions. In this study, six swarm intelligence optimization algorithms were applied to optimize the parameters of the model generated using the LibSVM toolkit in MATLAB to identify potential MMP-12 inhibitors (MMP-12is); six types of optimized support vector machine (SVM) models were established. The highest prediction accuracy obtained was 98.89%, which was equivalent to the effect of the optimal “”RF+opt”” model. All six models passed the Y-randomization test and showed excellent performance with reliable results. Virtual screening identified 371 mols. with a predictive probability score greater than 0.9. The optimized SVM models, in addition to “”RF+opt”” and “”SVM2″” models, were combined to establish a consistency evaluation system. Our results revealed six non-toxic potential MMP-12is. This process provides a strong theor. basis for the design, synthesis, and development of novel drugs targeting MMP-12.

ChemistrySelect published new progress about Algorithm. 76-84-6 belongs to class alcohols-buliding-blocks, and the molecular formula is C19H16O, COA of Formula: C19H16O.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Saeed, Mohamed E. M.; Kadioglu, Onat; Greten, Henry Johannes; Yildirim, Adem; Mayr, Katharina; Wenz, Frederik; Giordano, Frank A.; Efferth, Thomas published the artcile< Drug repurposing using transcriptome sequencing and virtual drug screening in a patient with glioblastoma>, Electric Literature of 1492-18-8, the main research area is aclarubicin idarubicin anticancer agent cytotoxicity BRAF PIK3R1 mutation glioblastoma; Drug repurposing; Precision medicine; Targeted chemotherapy; Virtual drug screening.

Precision medicine and drug repurposing are attractive strategies, especially for tumors with worse prognosis. Glioblastoma is a highly malignant brain tumor with limited treatment options and short survival times. We identified novel BRAF (47-438del) and PIK3R1 (G376R) mutations in a glioblastoma patient by RNA-sequencing. The protein expression of BRAF and PIK3R1 as well as the lack of EGFR expression as analyzed by immunohistochem. corroborated RNA-sequencing data. The expression of addnl. markers (AKT, SRC, mTOR, NF-κB, Ki-67) emphasized the aggressiveness of the tumor. Then, we screened a chem. library of > 1500 FDA-approved drugs and > 25,000 novel compounds in the ZINC database to find established drugs targeting BRAF47-438del and PIK3R1-G376R mutated proteins. Several compounds (including anthracyclines) bound with higher affinities than the control drugs (sorafenib and vemurafenib for BRAF and PI-103 and LY-294,002 for PIK3R1). Subsequent cytotoxicity analyses showed that anthracyclines might be suitable drug candidates. Aclarubicin revealed higher cytotoxicity than both sorafenib and vemurafenib, whereas idarubicin and daunorubicin revealed higher cytotoxicity than LY-294,002. Liposomal formulations of anthracyclines may be suitable to cross the blood brain barrier. In conclusion, we identified novel small mols. via a drug repurposing approach that could be effectively used for personalized glioblastoma therapy especially for patients carrying BRAF47-438del and PIK3R1-G376R mutations.

Investigational New Drugs published new progress about Animal gene Role: BSU (Biological Study, Unclassified), PRP (Properties), BIOL (Biological Study) (ABCA13). 1492-18-8 belongs to class alcohols-buliding-blocks, and the molecular formula is C20H21CaN7O7, Electric Literature of 1492-18-8.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Ghersi, Dario; Genaro-Mattos, Thiago C. published the artcile< Identifying Molecular Fragments That Drive 7-Dehydrocholesterol Elevation>, Quality Control of 434-16-2, the main research area is cholesterol metabolism 7 dehydrocholesterol pharmacophore molBLOCKS DHCR7; Smith Lemli Opitz Syndrome.

Medications having the unwanted side effect of inhibiting 7-dehydrocholesterol reductase (DHCR7), one of the last enzymes in the cholesterol biosynthesis pathway, account for about 300 million yearly prescriptions in the United States. Many of these drugs are currently prescribed to pregnant women. Many DHCR7-inhibiting medications share chem. similarities, which can be the active substructure responsible for the medication affinity to the enzyme. This work highlights a computational strategy to identify enriched fragments in a set of DHCR7-inhibiting medications. The computational approach used here involves systematic fragmentation of mols. using the molBLOCKS tool, followed by enrichment anal. The results of this approach highlight putative pharmacophores that might be responsible for the DHCR7-inhibiting activity of some of these medications. The identification of DHCR7-inhibiting substructures is an important step toward knowledge-based drug development and can improve the neurodevelopmental safety of medications.

ACS Pharmacology & Translational Science published new progress about Chemoinformatics. 434-16-2 belongs to class alcohols-buliding-blocks, and the molecular formula is C27H44O, Quality Control of 434-16-2.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Lenormand, Anthony; Reyes Mendez, Lucia; Coulomb, Julien published the artcile< Relay-Heck Cross-Coupling Between Alkenyl Halides and Unsaturated Alcohols in the Synthesis of Open-Chain Analogues of Musk Odorant Vulcanolide>, HPLC of Formula: 627-27-0, the main research area is alkenyl halide alkenol palladium catalyst Heck cross coupling; carbonyl compound preparation; Heck reactions; alkenyl halides; palladium; relay; unsaturated alcohols.

Unactivated alkenyl iodides and bromides underwent an unprecedented palladium-catalyzed relay-Heck cross-coupling with a whole range of alkenols of different chain lengths linking the alkene and the alc., affording unsaturated aldehydes and ketones in moderate to good yields. In contrast, alkenyl triflates were not suitable partners for this reaction. This method allowed the preparation of open-chain analogs of the musk odorant Vulcanolide, several of which retained key olfactory properties of the parent mol.

Chemistry – A European Journal published new progress about Alkenyl alcohols Role: RCT (Reactant), RACT (Reactant or Reagent). 627-27-0 belongs to class alcohols-buliding-blocks, and the molecular formula is C4H8O, HPLC of Formula: 627-27-0.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Alinezhad, Heshmatollah; Pakzad, Khatereh published the artcile< C-S Cross-coupling reaction using novel and green synthesized CuO nanoparticles assisted by Euphorbia maculata extract>, Recommanded Product: 2-(Phenylthio)ethanol, the main research area is copper oxide nanoparticle green catalyst preparation; aqueous Euphorbia maculata copper sulfate extract green biosynthesis; thioether preparation green chem; thiol aryl halide cross coupling CuO nanoparticle catalyst.

In the present study, biosynthesis of CuO nanoparticles using a rapid, eco-friendly, cost-effective and efficient method was reported employing aqueous Euphorbia maculata extract as mild, renewable and non-toxic reducing and capping agents without adding any surfactants. This biogenic and green method had some benefits compared to conventional phys. and chem. methods. The biosynthesized CuO NP displayed a color change pattern (from sky blue to black) on preparation and presented its resp. broad peak at 365 nm, which was analyzed by UV-vis spectroscopy. Using FT-IR anal., biomols. in E. maculata extract which were responsible for bioreduction activity and synthesized CuO NP, were identified. XRD, EDX and FESEM results confirmed successful synthesis of CuO nanoparticles of 18 nm sizes, with spherical and sponge crystal structure. Catalytic activity of biosynthesized CuO NPs was studied in C-S cross-coupling reaction of thiols with aryl halides. This method had the advantages of high yields, easy work-up, and simple reusability. The recovered CuO NP could be reused four times without any considerable loss of its catalytic activity.

Applied Organometallic Chemistry published new progress about Aryl halides Role: RCT (Reactant), RACT (Reactant or Reagent). 699-12-7 belongs to class alcohols-buliding-blocks, and the molecular formula is C8H10OS, Recommanded Product: 2-(Phenylthio)ethanol.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Ansari, Arshad J.; Yadav, Ayushi; Mukherjee, Anirban; Sathish, Elagandhula; Nagesh, Kommu; Singh, Ritesh published the artcile< Metal free amination of congested and functionalized alkyl bromides at room temperature>, SDS of cas: 5344-90-1, the main research area is aryl amine preparation; bromoamide aromatic heteroaromatic amine amination; benzodiazepine preparation.

The authors report a highly facile and unprecedented approach to synthesize congested N-(hetero)aryl amines, e.g., 4-NCC6H4NNHCMe2CONHOBn, en route to α-amino acid amides using α-bromoamides as alkylating agents under mild reaction conditions (room temperature). The involvement of aza-oxyallyl cations as alkylating agents is the hallmark of this reaction. This method was readily adapted for the rapid synthesis of coveted 1,4-benzodiazepine-3,5-diones I [R = R1 = H, MeO, R2 = OBn; R = R1 = R2 = H; R = R1 = MeO, R2 = H; R = H, R1 = Cl, R2 = OBn].

Chemical Communications (Cambridge, United Kingdom) published new progress about Amides Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 5344-90-1 belongs to class alcohols-buliding-blocks, and the molecular formula is C7H9NO, SDS of cas: 5344-90-1.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Ozturk, Yasin; Gunaydin, Caner; Yalcin, Fatma; Naziroglu, Mustafa; Braidy, Nady published the artcile< Resveratrol enhances apoptotic and oxidant effects of paclitaxel through TRPM2 channel activation in DBTRG glioblastoma cells>, Application of C14H12O3, the main research area is .

Numerous studies have reported a strong association between increased production of reactive oxygen species (ROS) and the pathobiol. of several diseases, and cancer in particular. Therefore, manipulation of cellular oxidative stress levels represents an important therapeutic target. Recently, resveratrol (RESV), a naturally occurring phytochem., has been shown to sensitize several cell lines to the anticancer effects of other chemotherapeutic agents, including paclitaxel (PAX). However, the mol. mechanisms of action of RESV through oxidative sensitive TRPM2 channel activation remain unclear. The aim of this study was to evaluate the effect of combination therapy of RESV and PAX on activation of TRPM2 in DBTRG glioblastoma cells. DBTRG cells were divided into four treatment groups: control, RESV (50 μM), PAX (50 μM), and PAX + RESV for 24 h. Our data shows that markers for apoptosis, mitochondrial membrane depolarization and mitochondrial function, intracellular steady-state ROS levels, caspase 3 activity, TRPM2 c.d., and Ca2+ florescence intensity were significantly increased in DBTRG cells following treatment with PAX and RESV, resp., although cell viability was also decreased by these treatments. These biochem. markers were further increased to favor the anticancer effects of PAX in DBTRG cells in combination with RESV. The PAX and RESV-mediated increase in c.d. and Ca2+ florescence intensity was decreased with a TRPM2 blocker. This suggests that for this combination therapy to have a substantial effect on apoptosis and cell viability, the TRPM2 channel must be stimulated.

Oxidative Medicine and Cellular Longevity published new progress about 501-36-0 . 501-36-0 belongs to class alcohols-buliding-blocks, and the molecular formula is C14H12O3, Application of C14H12O3.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Kuribara, Takahito; Nakajima, Masaya; Nemoto, Tetsuhiro published the artcile< A visible-light activated secondary phosphine oxide ligand enabling Pd-catalyzed radical cross-couplings>, Application of C4H8O, the main research area is amine allyl methyl carbonate palladium photochem allylation; bromoalkane aryl alkene palladium photochem diastereoselective Heck reaction; aryl halide pyrrole palladium photochem radical cross coupling; haloarene palladium photochem dehalogenative hydrogenation.

A secondary phosphine oxide ligand bearing a visible-light sensitization moiety and apply it to Pd-catalyzed radical cross-coupling reactions was reported. The tautomeric phosphinous acid coordinates to palladium in-situ, allowing for pseudo-intramol. single-electron transfer between the ligand and palladium. Mol. design of the metal complexes aided by time-dependent d. functional theory calculations enables the involvement of allyl radicals from π-allyl palladium(II) complexes, and alkyl and aryl radicals from the corresponding halides and palladium(0) complex. This complex enables radical cross-couplings by ligand-to-Pd(II) and Pd(0)-to-ligand single-electron transfer under visible-light irradiation

Nature Communications published new progress about Allylation (photochem.). 627-27-0 belongs to class alcohols-buliding-blocks, and the molecular formula is C4H8O, Application of C4H8O.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts