Tag: M.W=350-400

Korstanje, Ties J. published the artcileSynthesis and Characterization of Rhenium(V) Oxo Complexes Bearing PNP-Pincer Ligands, Related Products of pyridine-derivatives, the publication is Organometallics (2014), 33(9), 2201-2209, database is CAplus.

The synthesis of pyridine-based PNP-pincer Re-oxo complexes, with Ph (1, 3), tert-Bu (2), or cyclohexyl (4) groups on the P atoms and either a ReO₂X (1, 2) or a ReCl₂O (3, 4) core is reported. The structures of these compounds were characterized using ¹H, ¹³C, and ³¹P NMR and using x-ray crystallog. for 1 and 4. Compounds 2 and 3 crystallize as the corresponding ReO(OH)X compounds upon their reaction with moisture during the crystallization process. The complexes were tested as catalysts in the oxidation reaction of limonene with H₂O₂, the O atom transfer reaction from pyridine N-oxide to PPh₃, and the dehydration reaction of 1-phenylethanol, but all showed poor catalytic performance. All complexes can be deprotonated at the benzylic arm, and 2 can be deprotonated twice, accompanied by dearomatization of the pyridine ring. 3 and 4 are highly stable in their oxidized forms. The noninnocent behavior shown here could open up possibilities for cooperative catalysis.

Organometallics published new progress about 338800-13-8. 338800-13-8 belongs to pyridine-derivatives, auxiliary class Bis-phosphine Ligands, name is 2,6-Bis((di-tert-butylphosphino)methyl)pyridine, and the molecular formula is C23H43NP2, Related Products of pyridine-derivatives.

Referemce:
https://en.wikipedia.org/wiki/Pyridine,
Pyridine | C5H5N – PubChem

van der Vlugt, Jarl Ivar published the artcileCationic and neutral Ni^II complexes containing a non-innocent PNP ligand: formation of alkyl and thiolate species, Computed Properties of 338800-13-8, the publication is Dalton Transactions (2009), 1016-1023, database is CAplus and MEDLINE.

The synthesis and characterization of a series of cationic and neutral Ni-complexes with the non-innocent pincer ligand (HL = 2,6-bis(di(tert-butyl)phosphinomethyl)pyridine) is discussed. Starting with the dicationic complex [Ni(L)(NCMe)](BF₄)₂ (1), a small series of dicationic and monocationic Ni^II complexes has been prepared Substitution with tert-Bu isocyanide and azide occurs readily in MeCN solution IR spectroscopy provided a practical handle to access the formal valence state of the ligand. For the mono- and dicationic tert-Bu isocyanide derivatives the main vibrational bands in the IR spectra were reproduced quant. by DFT theor. calculations, showing good agreement with the exptl. observed Δν upon dearomatization of the ligand backbone. Using a selective dearomatization-reprotonation methodol. the mononuclear Ni-thiolate derivatives are cleanly generated and their structures have been determined by X-ray crystal structure determination Alternatively, starting from the monocationic species [Ni(L)Cl]BF₄, neutral alkyl derivatives are easily available in a two-step procedure, and these species have been spectroscopically characterized.

Dalton Transactions published new progress about 338800-13-8. 338800-13-8 belongs to pyridine-derivatives, auxiliary class Bis-phosphine Ligands, name is 2,6-Bis((di-tert-butylphosphino)methyl)pyridine, and the molecular formula is C44H28ClFeN4, Computed Properties of 338800-13-8.

Referemce:
https://en.wikipedia.org/wiki/Pyridine,
Pyridine | C5H5N – PubChem

Li, Guoping published the artcilePost-chromatographic dicationic ionic liquid-based charge complexation for highly sensitive analysis of anionic compounds by ultra-high-performance supercritical fluid chromatography coupled with electrospray ionization mass spectrometry, Category: pyridine-derivatives, the publication is Analytical Chemistry (Washington, DC, United States) (2021), 93(3), 1771-1778, database is CAplus and MEDLINE.

A green anal. strategy has been developed for the anal. of 10 perfluorinated compounds (PFCs) incorporating supramol. solvent (SUPRAS)-based extraction and ultra-high-performance supercritical fluid chromatog. (UHPSFC)-tandem mass spectrometry. The SUPRAS was prepared through self-assembly of reverse micelles by mixing heptanol, THF, and water at optimized volume ratios. An imidazolium-based germinal dicationic ionic liquid (DIL), 1,1-bis(3-methylimidazolium-1-yl) butylene difluoride ([C₄(MIM)₂]F₂), was dissolved in the make-up solvent of UHPSFC and introduced post-column but before the electrospray ionization source. After chromatog. separation on a Torus DIOL anal. column (100 mm x 2.1 mm, 1.7μm), the PFC analytes associated with the DIL reagent through charge complexation. The formation of pos. charged complexes resulted in improved ionization efficiency and anal. sensitivity. Enhancement in signal intensity by one to two magnitudes was achieved in the pos. ionization mode compared to the neg. ionization mode without using the dicationic ion-pairing reagent. The developed protocol was applied to 32 samples of real textiles and 6 samples of real food packaging materials, which exhibited great potential for the anal. of anionic compounds

Analytical Chemistry (Washington, DC, United States) published new progress about 47369-00-6. 47369-00-6 belongs to pyridine-derivatives, auxiliary class Pyridine,Salt,Benzene,Organic ligands for MOF materials,Nitrogen containing MOF ligands,Nitrogen containing MOF ligands, name is 1,1′-Diphenyl-[4,4′-bipyridine]-1,1′-diium chloride, and the molecular formula is C22H18Cl2N2, Category: pyridine-derivatives.

Referemce:
https://en.wikipedia.org/wiki/Pyridine,
Pyridine | C5H5N – PubChem

Udumyan, Ruzan published the artcileBeta-blocker use and lung cancer mortality in a nationwide cohort study of patients with primary non-small cell lung cancer, Category: pyridine-derivatives, the main research area is non small cell lung cancer mortality beta blocker.

β-Adrenergic receptor blockers have been associated with improved survival among patients with different types of malignancies, but available data for patients with non-small cell lung cancer are contradictory and limited to small hospital-based studies. We aimed to investigate whether β-blocker use at time of cancer diagnosis is associated with lung cancer mortality in largest general population-based cohort of patients with NSCLC to date. For this retrospectively defined nationwide cohort study, we used prospectively collected data from Swedish population and health registers. Through Swedish Cancer Register, we identified 18,429 patients diagnosed with primary NSCLC between 2006 and 2014 with follow-up to 2015. Cox regression was used to estimate the association between β-blocker use at time of cancer diagnosis ascertained from the Prescribed Drug Register and cancer-specific mortality identified from the Cause of Death Register. Over a median follow-up of 10.2 mo, 14,994 patients died. Compared with nonuse, β-blocker use was not associated with lung cancer mortality [HR (95% confidence interval): 1.01 (0.97-1.06)]. However, the possibility that diverging associations for specific β-blockers and some histopathol. subtypes exist cannot be excluded. In this nationwide cohort of patients with NSCLC, β-blocker use was not associated with lung cancer mortality when assessed in aggregate in the total cohort, but evidence for some β-blockers is less conclusive.

Cancer Epidemiology, Biomarkers & Prevention published new progress about Diagnosis. 72509-76-3 belongs to class pyridine-derivatives, name is 3-Ethyl 5-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, and the molecular formula is C18H19Cl2NO4, Category: pyridine-derivatives.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Fagerberg, Jonas Henrik published the artcileAffinity of Lipophilic Drugs to Mixed Lipid Aggregates in Simulated Gastrointestinal Fluids, Computed Properties of 72509-76-3, the main research area is sodium taurocholate affinity lipophilic lipid aggregate simulated gastrointestinal fluid; Affinity; Biorelevant dissolution media; Drug lipophilicity; Ionization; Mixed lipid aggregates; Solubilization.

Mixed lipid aggregates, comprising of bile salts and phospholipids, present in the small intestine assist in drug solubilization and subsequent drug dissolution and absorption through the intestinal epithelium. The increased variability in their levels, observed physiol., may create challenges not only for in vivo bioavailability and bioequivalence studies, but also for in vitro bio-predictive studies as correlations between in vitro and in vivo data are not always successful. The current study investigated the impact of biorelevant dissolution media, with physiol. relevant sodium taurocholate and lecithin levels, on the apparent solubility and affinity of lipophilic compounds with a wide range of physicochem. properties (drug ionization, drug lipophilicity, mol. weight) to mixed lipid aggregates. Apparent solubility data in biorelevant dissolution media for the studied neutral drugs, weak bases and weak acids were compared against a phosphate buffer pH 6.5 in the absence of these lipidic components. Presence of mixed lipid aggregates enhanced the apparent solubility of the majority of compounds and the use of multivariate data anal. identified the significant parameters affecting drug affinity to mixed lipid aggregates based on the chem. class of the drug. For neutral drugs, increasing bile salt concentrations and/or drug lipophilicity resulted in greater enhancement in apparent solubility at 24-h. For weak bases and weak acids, the effect of increasing bile salt levels on apparent solubility depended mostly on an interplay between drug lipophilicity and drug ionization.

Journal of Pharmaceutical Sciences (Philadelphia, PA, United States) published new progress about Affinity. 72509-76-3 belongs to class pyridine-derivatives, name is 3-Ethyl 5-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, and the molecular formula is C18H19Cl2NO4, Computed Properties of 72509-76-3.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Wang, Feifei published the artcileAssociation between potentially inappropriate medication and adverse drug reactions in hospitalized elderly patients, HPLC of Formula: 72509-76-3, the main research area is potentially inappropriate medication adverse drug reaction hospitalized human; adverse drug reactions; hospitalized; inappropriate medicine.

The Beers, European Union (EU) and Screening Tool of Older Persons’ potentially inappropriate Prescription (STOPP) criteria were developed to improve the safe use of medicines in the elderly. However, the predictive validity of existing criteria to detect adverse drug reactions (ADRs) remains unexplored. The objective of the current study was to determine whether the 2019 Beers, 2015 STOPP or 2015 EU potentially inappropriate medicine (PIM) criteria were associated with ADRs. A retrospective, cross-sectional investigation was conducted among older persons (â‰?0 years of age) admitted to a tertiary hospital in China between Apr. 2019 and Dec. 2019. PIMs were identified as per the Beers, EU and STOPP criteria definitions. ADRs were retrospectively evaluated by two clin. pharmacists using the Naranjo algorithm. Multivariate logistic regression was used to evaluate the factors associated with ADRs in the hospitalized patients. The study participants included 560 hospitalized patients (mean age 72.05 8.15). The prevalence of patients receiving at least one PIM was 52.1%, 37.0% and 42.9% according to the Beers, EU and STOPP criteria, resp. Univariate anal. showed that ADRs were associated with PIMs listed in the Beers criteria (OR: 2.093, 95% CI: 1.028-4.263, 0.042), but not with the STOPP-listed (OR: 0.536, 95% CI: 0.255-1.123, 0.098) and EU-listed PIMs (OR: 0.258, 95% CI: 0.118-0.563, 0.001). In contrast to the STOPP and EU criteria on PIMs, the Beers criteria were significantly associated with avoidable ADRs in hospitalized older persons.

Journal of Clinical Pharmacy and Therapeutics published new progress about Algorithm. 72509-76-3 belongs to class pyridine-derivatives, name is 3-Ethyl 5-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, and the molecular formula is C18H19Cl2NO4, HPLC of Formula: 72509-76-3.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Yu, Yong-Jie published the artcileAutomatic data analysis workflow for ultra-high performance liquid chromatography-high resolution mass spectrometry-based metabolomics, COA of Formula: C18H19Cl2NO4, the main research area is automatic data analysis algorithm UHPLC HRMS metabolomics; Automatic data analysis; Chemometrics; MATLAB GUI; UPLC-HRMS; Untargeted metabolomics.

Data anal. for ultra-performance liquid chromatog. high-resolution mass spectrometry-based metabolomics is a challenging task. The present work provides an automatic data anal. workflow (AntDAS2) by developing three novel algorithms, as follows: (i) a d.-based ion clustering algorithm is designed for extracted-ion chromatogram extraction from high-resolution mass spectrometry; (ii) a new maximal value-based peak detection method is proposed with the aid of automatic baseline correction and instrumental noise estimation; and (iii) the strategy that clusters high-resolution m/z peaks to simultaneously align multiple components by a modified dynamic programing is designed to efficiently correct time-shift problem across samples. Standard compounds and complex datasets are used to study the performance of AntDAS2. AntDAS2 is better than several state-of-the-art methods, namely, XCMS Online, Mzmine2, and MS-DIAL, to identify underlying components and improve pattern recognition capability. Meanwhile, AntDAS2 is more efficient than XCMS Online and Mzmine2. A MATLAB GUI of AntDAS2 is designed for convenient anal. and is available at the following webpage: http://software.tobaccodb.org/software/antdas2.

Journal of Chromatography A published new progress about Algorithm. 72509-76-3 belongs to class pyridine-derivatives, name is 3-Ethyl 5-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, and the molecular formula is C18H19Cl2NO4, COA of Formula: C18H19Cl2NO4.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Zadymova, N. M. published the artcileAdsorption of a Lipophilic Drug, Felodipine, at Different Interfaces, COA of Formula: C18H19Cl2NO4, the main research area is adsorption lipophilic drug felodipine different interface.

In connection with the development of methods for the delivery of lipophilic drugs in a bioavailable form, we have employed an integrated approach to the investigation of the adsorption of an antihypertensive drug, felodipine, at interfaces that simulate the surfaces of different carriers. Isotherms have been plotted for felodipine adsorption from solutions in heptane (C = 2.13 x 10-5 – 4.26 x 10-4 M) at interfaces with water and silver metal, as well as for the compression of drug monolayers formed on a water surface from the heptane solutions The quant. characteristics of the studied felodipine layers have been determined, and their phase state and the most probable conformation of adsorbed drug mols. have been analyzed taking into account the data of mol. dynamics simulations. The phase state of the felodipine layers at the heptane/water interface is adequately described by the van Laar equation. A bilayer is formed at the silver surface. A phase transition from a gaseous state to a liquid-expanded state has been revealed for the felodipine layers.

Colloid Journal published new progress about Adsorption. 72509-76-3 belongs to class pyridine-derivatives, name is 3-Ethyl 5-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, and the molecular formula is C18H19Cl2NO4, COA of Formula: C18H19Cl2NO4.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Lin, Yi-Sian published the artcileGWAS Meta-Analysis Reveals Shared Genes and Biological Pathways between Major Depressive Disorder and Insomnia, SDS of cas: 72509-76-3, the main research area is major depressive disorder insomnia gene biol pathway metaanalysis; GWAS; MDD; STRING; comorbidity; eQTL; gene network; insomnia; meta-analysis.

Major depressive disorder (MDD) is one of the most prevalent and disabling mental disorders worldwide. Among the symptoms of MDD, sleep disturbance such as insomnia is prominent, and the first reason patients may seek professional help. However, the underlying pathophysiol. of this comorbidity is still elusive. Recently, genome-wide association studies (GWAS) have begun to unveil the genetic background of several psychiatric disorders, including MDD and insomnia. Identifying the shared genomic risk loci between comorbid psychiatric disorders could be a valuable strategy to understanding their comorbidity. This study seeks to identify the shared genes and biol. pathways between MDD and insomnia based on their shared genetic variants. First, we performed a meta-anal. based on the GWAS summary statistics of MDD and insomnia obtained from Psychiatric Genomics Consortium and UK Biobank, resp. Next, we associated shared genetic variants to genes using two gene mapping strategies: (a) positional mapping based on genomic proximity and (b) expression quant. trait loci (eQTL) mapping based on gene expression linkage across multiple tissues. As a result, a total of 719 shared genes were identified. Over half (51%) of them are protein-coding genes. Functional enrichment anal. shows that the most enriched biol. pathways are related to epigenetic modification, sensory perception, and immunol. signatures. We also identified druggable targets using a network approach. Together, these results may provide insights into understanding the genetic predisposition and underlying biol. pathways of comorbid MDD and insomnia symptoms.

Genes published new progress about Cerebellum. 72509-76-3 belongs to class pyridine-derivatives, name is 3-Ethyl 5-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, and the molecular formula is C18H19Cl2NO4, SDS of cas: 72509-76-3.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Brinkmann, Joscha published the artcileIn-Silico Screening of Lipid-Based Drug Delivery Systems, Application In Synthesis of 72509-76-3, the main research area is lipid based drug delivery system screening formulation; PC-SAFT; lipid-based formulations; solubility; thermodynamic modeling.

This work proposes an in-silico screening method for identifying promising formulation candidates in complex lipid-based drug delivery systems (LBDDS). The approach is based on a min. amount of exptl. data for API solubilites in single excipients. Intermol. interactions between APIs and excipients as well as between different excipients were accounted for by the Perturbed-Chain Statistical Associating Fluid Theory. The approach was applied to the in-silico screening of lipid-based formulations for ten model APIs (fenofibrate, ibuprofen, praziquantel, carbamazepine, cinnarizine, felodipine, naproxen, indomethacin, griseofulvin and glibenclamide) in mixtures of up to three out of nine excipients (tricaprylin, Capmul MCM, caprylic acid, Capryol 90, Lauroglycol FCC, Kolliphor TPGS, polyethylene glycol, carbitol and ethanol). For eight out of the ten investigated model APIs, the solubilities in the final formulations could be enhanced by up to 100 times compared to the solubility in pure tricaprylin. Fenofibrate, ibuprofen, praziquantel, carbamazepine are recommended as type I formulations, whereas cinnarizine and felodipine showed a distinctive solubility gain in type II formulations. Increased solubility was found for naproxen and indomethacin in type IIIb and type IV formulations. The solubility of griseofulvin and glibenclamide could be slightly enhanced in type IIIb formulations. The exptl. validation agreed very well with the screening results. The API solubility individually depends on the choice of excipients. The proposed in-silico-screening approach allows formulators to quickly determine most-appropriate types of lipid-based formulations for a given API with low exptl. effort.

Pharmaceutical Research published new progress about Cosolvents. 72509-76-3 belongs to class pyridine-derivatives, name is 3-Ethyl 5-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, and the molecular formula is C18H19Cl2NO4, Application In Synthesis of 72509-76-3.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem