Tag: M.W=350-400

Kishor, S. published the artcileA complete guide on the pharmacologic and pharmacotherapeutic aspects of calcium channel blockers: an extensive review, Application In Synthesis of 72509-76-3, the main research area is review pharmacol pharmacokinetic pharmacotherapeutic calcium channel blocker.

The calcium channel blockers, a diverse group of cardiovascular drugs, exert their action by inhibiting the L-type calcium channels and cause vasodilatation in the heart and the smooth muscles. They also block the action potential at the SA and AV node, thus prolonging the duration of the action potential (Verapamil and Diltiazem). Although, the calcium channel blockers have the same anti-hypertensive actions, they have a vast difference in their pharmacol. actions, pharmacokinetic profile, and adverse reactions. The main aim was to review, compare, and understand the complete pharmacol. profile of all the calcium channel blockers and understand their place in pharmacotherapy. Numerous articles and studies showed that amlodipine remains to be the safe and effective drug of choice in chronic hypertension due to its slow, prolonged duration of action and lesser incidence of reflux tachycardia. The newer calcium channel blockers, although similar to amlodipine in blood pressure lowering effect, have several pharmacol. advantages. Felodipine was found to be slightly better than amlodipine in the treatment of ischemia/angina due to its high pre-load reducing the effect. Lercanidipine was found to be a better reno-protective agent than amlodipine due to its actions in the kidney. Benidipine was found to be an excellent, anti-atherosclerotic, and reno-protective agent. The incidence of baroreceptor activation and pedal edema was also found to be lower in the newer calcium channel blockers. Hence, the new generation calcium channel blockers could be preferred for various cardiovascular problems.

International Journal of Pharmaceutical Sciences and Research published new progress about Angina pectoris. 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

Brinkmann, Joscha published the artcilePC-SAFT Modeling of Phase Equilibria Relevant for Lipid-Based Drug Delivery Systems, Application In Synthesis of 72509-76-3, the main research area is PC SAFT model phase equilibrium lipid drug delivery system; API solubility prediction.

In this work we investigated the solubilities of 10 active pharmaceutical ingredients (APIs), namely, fenofibrate, ibuprofen, cinnarizine, carbamazepine, indomethacin, naproxen, griseofulvin, glibenclamide, felodipine, and praziquantel in the pharmaceutically relevant excipients tricaprylin, Lauroglycol FCC, Capryol 90, Kolliphor TPGS, ethanol, and monolaurin. API solubilities were either determined gravimetrically, with high-performance liquid chromatog., or with differential scanning calorimetry. Mutual solubilities in the three possible mixtures out of Kolliphor TPGS, tricaprylin, and carbitol as well as the vapor sorption of ethanol in tricaprylin were determined exptl. The Perturbed-Chain Statistical Associating Fluid Theory (PC-SAFT) pure-component parameters for seven APIs were determined via fitting to vapor pressures and liquid densities or to solubilities in organic solvents. In total, 80 binary interaction parameters were fitted to the investigated binary mixtures They can be used in the future to improve the accuracy of lipid-based drug delivery systems in-silico screenings with PC-SAFT.

Journal of Chemical & Engineering Data published new progress about Binary mixtures. 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

Loza-Huerta, Arlet published the artcileThallium-sensitive fluorescent assay reveals loperamide as a new inhibitor of the potassium channel Kv10.1, HPLC of Formula: 72509-76-3, the main research area is thallium loperamide potassium channel inhibitor; Electrophysiology; Kv10.1 potassium channel; Oncogenic channel; Thallium-sensitive fluorescent assay.

Ion channels have been proposed as therapeutic targets for different types of malignancies. One of the most studied ion channels in cancer is the voltage-gated potassium channel ether-a-́go-go 1 or Kv10.1. Various studies have shown that Kv10.1 expression induces the proliferation of several cancer cell lines and in vivo tumor models, while blocking or silencing inhibits proliferation. Kv10.1 is a promising target for drug discovery modulators that could be used in cancer treatment. This work aimed to screen for new Kv10.1 channel modulators using a thallium influx-based assay. Pharmacol. effects of small mols. on Kv10.1 channel activity were studied using a thallium-based fluorescent assay and patch-clamp electrophysiol. recordings, both performed in HEK293 stably expressing the human Kv10.1 potassium channel. In thallium-sensitive fluorescent assays, we found that the small mols. loperamide and amitriptyline exert a potent inhibition on the activity of the oncogenic potassium channel Kv10.1. These results were confirmed by electrophysiol. recordings, which showed that loperamide and amitriptyline decreased the amplitude of Kv10.1 currents in a dose-dependent manner. Both drugs could be promising tools for further studies. Thallium-sensitive fluorescent assay represents a reliable methodol. tool for the primary screening of different mols. with potential activity on Kv10.1 channels or other K+ channels.

Pharmacological Reports published new progress about Antitumor agents. 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

Federico, Leonardo Bruno published the artcileIdentification of known drugs as potential SARS-CoV-2 Mpro inhibitors using ligand- and structure-based virtual screening, COA of Formula: C18H19Cl2NO4, the main research area is SARSCoV2 mpro inhibitor ligand screening; COVID-19; SARS-CoV-2; drug repositioning; ligand-based drug discovery; main-protease (Mpro); structure-based drug discovery.

Background: The new coronavirus pandemic has had a significant impact worldwide, and therapeutic treatment for this viral infection is being strongly pursued. Efforts have been undertaken by medicinal chemists to discover mols. or known drugs that may be effective in COVID-19 treatment – in particular, targeting the main protease (Mpro) of the virus. Materials & methods: We have employed an innovative strategy – application of ligand- and structure-based virtual screening – using a special compilation of an approved and diverse set of SARS-CoV-2 crystallog. complexes that was recently published. Results and conclusion: We identified seven drugs with different original indications that might act as potential Mpro inhibitors and may be preferable to other drugs that have been repurposed. These drugs will be exptl. tested to confirm their potential Mpro inhibition and thus their effectiveness against COVID-19.

Future Medicinal Chemistry published new progress about Antiviral agents. 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

Yamada, Makiko published the artcileCritical impact of drug-drug interactions via intestinal CYP3A in the risk assessment of weak perpetrators using physiologically based pharmacokinetic models, Formula: C18H19Cl2NO4, the main research area is drug interaction intestinal CYP3A physiol pharmacokinetic model.

A great deal of effort has been being made to improve the accuracy of the prediction of drug-drug interactions (DDIs). In this study, we addressed CYP3A-mediated weak DDIs, in which a relatively high false prediction rate was pointed out. We selected 17 orally administered drugs that have been reported to alter area under the curve (AUC) of midazolam, a typical CYP3A substrate, 0.84-1.47 times. For weak CYP3A perpetrators, the predicted AUC ratio mainly depends on intestinal DDIs rather than hepatic DDIs because the drug concentration in the enterocytes is higher. Thus, DDI prediction using simulated concentration-time profiles in each segment of the digestive tract was made by physiol. based pharmacokinetic (PBPK) modeling software GastroPlus. Although mechanistic static models tend to overestimate the risk to ensure the safety of patients, some underestimation is reported about PBPK modeling. Our in vitro studies revealed that 16 out of 17 tested drugs exhibited time-dependent inhibition (TDI) of CYP3A, and the subsequent DDI simulation that ignored these TDIs provided false-neg. results. This is considered to be the cause of past underestimation. Inclusion of the DDI parameters of all the known DDI mechanisms, reversible inhibition, TDI, and induction, which have opposite effects on midazolam AUC, to PBPK model was successful in improving predictability of the DDI without increasing false-neg. prediction as trade-off. This comprehensive model-based anal. suggests the importance of the intestine in assessing weak DDIs via CYP3A and the usefulness of PBPK in predicting intestinal DDIs. Although drug-drug interaction (DDI) prediction has been extensively performed previously, the accuracy of prediction for weak interactions via CYP3A has not been thoroughly investigated. In this study, we simulate DDIs considering drug concentration-time profile in the enterocytes and discuss the importance and the predictability of intestinal DDIs about weak CYP3A perpetrators.

Drug Metabolism & Disposition published new progress about Drug interactions. 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, Formula: C18H19Cl2NO4.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Garcia-Marin, Luis M. published the artcileLarge-scale genetic investigation reveals genetic liability to multiple complex traits influencing a higher risk of ADHD, Safety of 3-Ethyl 5-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, the main research area is genetic liability attention deficit hyperactivity disorder child adult.

Attention Deficit-Hyperactivity Disorder (ADHD) is a complex psychiatric and neurodevelopmental disorder that develops during childhood and spans into adulthood. ADHD’s etiol. is complex, and evidence about its cause and risk factors is limited. We leveraged genetic data from genome-wide association studies (GWAS) and performed latent causal variable analyses using a hypothesis-free approach to infer causal associations between 1387 complex traits and ADHD. We identified 37 inferred potential causal associations with ADHD risk. Our results reveal that genetic variants associated with iron deficiency anemia (ICD10), obesity, type 2 diabetes, synovitis and tenosynovitis (ICD10), polyarthritis (ICD10), neck or shoulder pain, and substance use in adults display partial genetic causality on ADHD risk in children. Genetic variants associated with ADHD have a partial genetic causality increasing the risk for chronic obstructive pulmonary disease and carpal tunnel syndrome. Protective factors for ADHD risk included genetic variants associated with the likelihood of participating in socially supportive and interactive activities. Our results show that genetic liability to multiple complex traits influences a higher risk for ADHD, highlighting the potential role of cardiometabolic phenotypes and phys. pain in ADHD’s etiol. These findings have the potential to inform future clin. studies and development of interventions.

Scientific Reports published new progress about Adult, mammalian. 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, Safety of 3-Ethyl 5-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Mao, Junjun published the artcileIncorporating nonlinear kinetics to improve predictive performance of population pharmacokinetic models for ciclosporin in adult renal transplant recipients: A comparison of modelling strategies, COA of Formula: C18H19Cl2NO4, the main research area is ciclosporin renoprotectant pharmacokinetic renal transplantation; Ciclosporin; Modelling strategies; Nonlinear kinetics; Population pharmacokinetics.

Ciclosporin has been shown to follow nonlinear pharmacokinetics (PK) in renal transplant recipients who received ciclosporin (Neoral, Novartis)-based triple immunosuppressive therapy. Some of these nonlinear properties have not been fully considered in population PK (popPK) anal. Therefore, the aim of this study was to determine the potential influence of nonlinearity and the functional forms of covariates on model predictability as well as to analyze multiple nonlinear factors in the in vivo process. A total of 2969 ciclosporin whole-blood measurements, including 1328 pre-dose and 1641 2-h post-dose concentrations, were collected from 173 patients who underwent their first renal transplantation. Four popPK models based on different modeling strategies were developed to investigate the discrepancy between empirical and theory-based, linear and nonlinear compartmental kinetic models and empirical formulas on model predictability. Prediction and simulation-based diagnostics (prediction-corrected visual predictive checks) were performed to determine the stability and predictive performance of these four models. Model predictability improved when nonlinearity was considered. The theory-based nonlinear model which incorporated nonlinear property based on known theor. relationships performed better than the other two compartmental models. The nonlinear Michaelis-Menten model showed a remarkable improvement in predictive performance compared to the other three compartmental models. The saturated binding of ciclosporin to erythrocytes, auto-inhibition induced by the inhibitory effects of ciclosporin on cytochrome P 450 3A4/P-glycoprotein may have contributed to the nonlinearity. Ciclosporin-prednisolone drug interaction should be given serious consideration in clin. settings. Incorporation of nonlinear properties is likely to be a promising approach for improving ciclosporin model predictability. Theory-based modeling is helpful to improve model predictability. However, ciclosporin nonlinear kinetics resources need further investigation.

European Journal of Pharmaceutical Sciences published new progress about Adult, mammalian. 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

Lee, Fei Yee published the artcileAdverse drug reactions of antihypertensives and CYP3A5*3 polymorphism among chronic kidney disease patients, Computed Properties of 72509-76-3, the main research area is cytochrome polymorphism chronic kidney disease human antihypertensive drug reaction; CYP3A5; adverse drug reaction; antihypertensive drugs; chronic kidney disease; pharmacogenetics.

Chronic kidney disease (CKD) patients may be more susceptible to adverse drug reactions (ADRs), given their complex medication regimen and altered physiol. state driven by a decline in kidney function. This study aimed to describe the relationship between CYP3A5*3 polymorphism and the ADR of antihypertensive drugs in CKD patients. This retrospective, multi-center, observational cohort study was performed among adult CKD patients with a follow-up period of up to 3 years. ADRs were detected through medical records. CYP3A5*3 genotyping was performed using the direct sequencing method. From the 200 patients recruited in this study, 33 (16.5%) were found to have ADRs related to antihypertensive drugs, with 40 ADRs reported. The most frequent ADR recorded was hyperkalemia (n = 8, 20.0%), followed by bradycardia, hypotension, and dizziness, with 6 cases (15.0%) each. The most common suspected agents were angiotensin II receptor blockers (n = 11, 27.5%), followed by angiotensin-converting enzyme inhibitors (n = 9, 22.5%). The CYP3A5*3 polymorphism was not found to be associated with antihypertensive-related ADR across the genetic models tested, despite adjustment for other possible factors through multiple logistic regression (p > 0.05). After adjusting for possible confounding factors, the factors associated with antihypertensive-related ADR were anemia (adjusted odds ratio [aOR] 5.438, 95% confidence interval [CI]: 2.002, 14.288) and poor medication adherence (aOR 3.512, 95% CI: 1.470, 8.388). In conclusion, the CYP3A5*3 polymorphism was not found to be associated with ADRs related to antihypertensives in CKD patients, which requires further verification by larger studies.

Frontiers in Pharmacology published new progress about Allele frequency. 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

Wei, Feng published the artcileStructural and photophysical study of copper iodide complex with PN̂ or PN̂P̂ ligand, Application of 2,6-Bis((di-tert-butylphosphino)methyl)pyridine, the publication is CrystEngComm (2014), 16(24), 5338-5344, database is CAplus.

Two PN̂-type ligands, 8-(diphenylphosphino)quinoline (L₁) and 2-[2-(diphenylphosphino)ethyl]pyridine (L₂), and two PN̂P̂-type ligands, 2,6-bis((diphenylphosphino)methyl)pyridine (L₃) and 2,6-bis((di-tert-butylphosphino)methyl)pyridine (L₄), were synthesized to coordinate with copper iodide (CuI). As a result, CuI complexes with rich structures, such as discrete complexes with formulas of [Cu₂I₂(L₁)₂] (5), [Cu₃I₃(L₂)₂] (6), and [CuI(L₃)] (7), and polymeric complexes with repeating units of [Cu₂I₂(L₄)] (8), and [Cu₃I₃(L₄)] (9) were synthesized and characterized by single crystal X-ray diffraction. Besides the intriguing structures, these complexes showed rich photoluminescent properties, with emission color that varied from blue to red and a photoluminescence quantum yield (PLQY) from 1.6 to 29.9% in the solid state. MO calculation and exptl. study showed that the emissions involve halide to ligand charge transfer (XLCT), metal to ligand charge transfer (MLCT), and/or cluster-centered (CC) excited states.

CrystEngComm 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 C8H6ClF3, Application of 2,6-Bis((di-tert-butylphosphino)methyl)pyridine.

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

Tam, Teck Lip Dexter published the artcileThermoelectric Performances of n-Doped Ladder-Type Conjugated Polymers Using Various Viologen Radical Cations, Quality Control of 47369-00-6, the publication is ACS Applied Polymer Materials (2021), 3(11), 5596-5603, database is CAplus.

Understanding the dopant-polymer interaction is of interest to the conducting polymer research community due to its influence on charge transport properties and also thermoelec. performance. However, studies on such interactions are often complicated by the change in polymer morphol. upon the addition of dopants. Here, we utilized sequential solution doping of a ladder-type poly(benzimidazobenzophenanthrolinedione) (BBL) via viologen radical cation salts. The strong interchain interaction in BBL prevents the infiltration of the viologen radical cations into individual BBL fibrils, thus minimizing the disruption of the polymer morphol. By changing the N-substitution (benzyl or hexyl) and counteranion (chloride or iodide) of the viologen radical cations, the dopant-polymer interaction in such a system was studied. Our results suggest that the anion-π (radical) interaction between the counteranion and BBL (BBL^–) is detrimental to the charge transport properties and thermoelec. performance of this system. This anion-π (radical) interaction between the counteranion and BBL (BBL^–) is governed by the solution state of the viologen radical cation (tightly bound anion or dimerized with loosely bound anion) during the doping process, which is controlled by the bulkiness of the N-substitution and the Lewis basicity of the counteranion. As a result, BBL doped with benzyl viologen monochloride showed the highest conductivities with reasonably high Seebeck coefficients while BBL doped with hexyl viologen monochloride showed inferior conductivities and Seebeck coefficients

ACS Applied Polymer Materials 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 C11H10N4, Quality Control of 47369-00-6.

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