Day: November 25, 2022

Moustani, Chrysavgi published the artcileNovel aqueous-phase hydrogenation reaction of the key biorefinery platform chemical levulinic acid into γ-valerolactone employing highly active, selective and stable water-soluble ruthenium catalysts modified with nitrogen-containing ligands, Related Products of pyridine-derivatives, the publication is Applied Catalysis, B: Environmental (2018), 82-92, database is CAplus.

High catalytic activities (TO = 000 ^-1) have been achieved by novel water-soluble ruthenium catalysts modified with nitrogen-containing ligands such as the bathophenanthrolinedisulfonic acid disodium salt (BPhDS) in the hydrogenation reaction of the renewable polar platform chem. levulinic acid (LA) which possesses a central relevance in the development of biorefineries of the future in a sustainable way to produce with essentially quant. selectivity of 99.9 mol% γ-valerolactone (GVL) in aqueous media. The apparent activation energy of the Ru/BPhDS catalyst was calculated and amounts a relative low value of 53.3 J/mol when one considers that in the LA hydrogenation reaction this catalyst reduces a less reactive keto group into alc. functionality. A recycling experiment of the Ru/BPhDS catalyst by extraction after addition of di-Et ether has shown that the catalyst is stable without loss of activity and selectivity in a consecutive run.

Applied Catalysis, B: Environmental published new progress about 636-73-7. 636-73-7 belongs to pyridine-derivatives, auxiliary class Pyridine,Sulfonic acid, name is Pyridine-3-sulfonic acid, and the molecular formula is C5H5NO3S, Related Products of pyridine-derivatives.

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

Down, Kenneth published the artcileDiscovery of GSK251: A Highly Potent, Highly Selective, Orally Bioavailable Inhibitor of PI3Kδ with a Novel Binding Mode, Recommanded Product: 4-Amino-2-picoline, the publication is Journal of Medicinal Chemistry (2021), 64(18), 13780-13792, database is CAplus and MEDLINE.

Optimization of a previously reported lead series of PI3Kδ inhibitors with a novel binding mode led to the identification of a clin. candidate compound 31 (GSK251)(I). Removal of an embedded Ames-pos. heteroaromatic amine by reversing a sulfonamide followed by locating an interaction with Trp760 led to a highly selective compound 9 (II). Further optimization to avoid glutathione trapping, to enhance potency and selectivity, and to optimize an oral pharmacokinetic profile led to the discovery of compound 31 (GSK251) that had a low predicted daily dose (45 mg, b.i.d) and a rat toxicity profile suitable for further development.

Journal of Medicinal Chemistry published new progress about 18437-58-6. 18437-58-6 belongs to pyridine-derivatives, auxiliary class Pyridine,Amine, name is 4-Amino-2-picoline, and the molecular formula is C6H8N2, Recommanded Product: 4-Amino-2-picoline.

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

DiMauro, Erin F. published the artcileApplication of a Parallel Synthetic Strategy in the Discovery of Biaryl Acyl Sulfonamides as Efficient and Selective Na_V1.7 Inhibitors, Product Details of C15H23BClNO3, the publication is Journal of Medicinal Chemistry (2016), 59(17), 7818-7839, database is CAplus and MEDLINE.

The majority of potent and selective hNa_V1.7 inhibitors possess common pharmacophoric features that include a heteroaryl sulfonamide headgroup and a lipophilic aromatic tail group. Recently, reports of similar aromatic tail groups in combination with an acyl sulfonamide headgroup have emerged, with the acyl sulfonamide bestowing levels of selectivity over hNa_V1.5 comparable to the heteroaryl sulfonamide. Beginning with com. available carboxylic acids that met selected pharmacophoric requirements in the lipophilic tail, a parallel synthetic approach was applied to rapidly generate the derived acyl sulfonamides. A biaryl acyl sulfonamide hit from this library was elaborated, optimizing for potency and selectivity with attention to physicochem. properties. The resulting novel leads are potent, ligand and lipophilic efficient, and selective over hNa_V1.5. Representative lead I demonstrates selectivity over other human Na_V isoforms and good pharmacokinetics in rodents. The biaryl acyl sulfonamides reported herein may also offer ADME advantages over known heteroaryl sulfonamide inhibitors.

Journal of Medicinal Chemistry published new progress about 1387634-81-2. 1387634-81-2 belongs to pyridine-derivatives, auxiliary class Boronate Esters,Boronate Esters,Boronic acid and ester,Boronic acid and ester, name is 3-Chloro-2-isobutoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine, and the molecular formula is C15H23BClNO3, Product Details of C15H23BClNO3.

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

Ontoria, Jesus M. published the artcileIdentification of Novel, Selective, and Stable Inhibitors of Class II Histone Deacetylases: Validation Studies of the Inhibition of the Enzymatic Activity of HDAC4 by Small Molecules as a Novel Approach for Cancer Therapy, Synthetic Route of 197958-29-5, the publication is Journal of Medicinal Chemistry (2009), 52(21), 6782-6789, database is CAplus and MEDLINE.

5-Aryl-2-(trifluoroacetyl)thiophenes were identified as a new series of class II HDAC inhibitors (HDACi). Further development of this new series led to compounds such as 6h(I), a potent inhibitor of HDAC4 and HDAC6 (HDAC4 WT IC₅₀ = 310 nM, HDAC6 IC₅₀ = 70 nM) that displays 40-fold selectivity over HDAC1 and improved stability in HCT116 cancer cells (t₁/₂ = 11 h). Compounds 6h and 2(II) show inhibition of α-tubulin deacetylation in HCT116 cells at 1 μM concentration and antiproliferation effects only at concentrations where inhibition of histone H3 deacetylation is observed

Journal of Medicinal Chemistry published new progress about 197958-29-5. 197958-29-5 belongs to pyridine-derivatives, auxiliary class Pyridine,Boronic acid and ester, name is 2-Pyridinylboronic acid, and the molecular formula is C5H6BNO2, Synthetic Route of 197958-29-5.

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

Maafi, Mounir published the artcilePhotokinetics of Dacarbazine and Nifedipine under polychromatic light irradiation and their application as new reliable actinometers for the ultraviolet range, Related Products of pyridine-derivatives, the publication is Scientific Reports (2022), 12(1), 7622, database is CAplus and MEDLINE.

The photokinetic behavior of drugs driven by polychromatic light is an area of pharmaceutics that has not received a lot of attention. Most often, such photokinetic data is treated by thermal kinetic models (i.e., the classical 0th-, 1st- or 2nd-order equations). Such models were not anal. derived from the rate-laws of the photodegradation reactions. Polychromatic light kinetic modeling is hence of importance, as a means to providing adequate toolkits and metrics. This paper aims at proposing two reliable drug-actinometers useful for polychromatic UVA range. The general actinometric methodol. offered here is also useful for any drugs/materials obeying a primary photoprocess where both reactant and photoproduct absorb the incident light, of the AB(1φ)εB≠0 type. The present method has been consolidated by the η-order kinetics. This framework further demonstrated the lamp-specificity of actinometers. Overall, Dacarbazine and Nifedipine photodegradations obeyed η-order kinetics, and stand as effective actinometers that can be recommended for the ICH Q1b photostability testing.

Scientific Reports published new progress about 21829-25-4. 21829-25-4 belongs to pyridine-derivatives, auxiliary class Membrane Transporter/Ion Channel,Calcium Channel, name is Dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, and the molecular formula is C17H18N2O6, Related Products of pyridine-derivatives.

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

Held, Katharina published the artcilePharmacological properties of TRPM3 isoforms are determined by the length of the pore loop, Application of Dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, the publication is British Journal of Pharmacology (2022), 179(14), 3560-3575, database is CAplus and MEDLINE.

Background and Purpose : Transient receptor potential melastatin 3 (TRPM3) is a non-selective cation channel that plays a pivotal role in the peripheral nervous system as a transducer of painful heat signals. Alternative splicing gives rise to several TRPM3 variants. The functional consequences of these splice isoforms are poorly understood. Here, the pharmacol. properties of TRPM3 variants arising from alternative splicing in the pore-forming region were compared. Exptl. Approach : Calcium microfluorimetry and patch clamp recordings were used to compare the properties of heterologously expressed TRPM3α1 (long pore variant) and TRPM3α2-α6 (short pore variants). Furthermore, site-directed mutagenesis was done to investigate the influence of the length of the pore loop on the channel function. Key Results : All short pore loop TRPM3α variants (TRPM3α2-α6) were activated by the neurosteroid pregnenolone sulfate (PS) and by nifedipine, whereas the long pore loop variant TRPM3α1 was insensitive to either compound In contrast, TRPM3α1 was robustly activated by clotrimazole, a compound that does not directly activate the short pore variants but potentiates their responses to PS. Clotrimazole-activated TRPM3α1 currents were largely insensitive to established TRPM3α2 antagonists and were only partially inhibited upon activation of the μ opioid receptor. Finally, by creating a set of mutant channels with pore loops of intermediate length, we showed that the length of the pore loop dictates differential channel activation by PS and clotrimazole. Conclusion and Implications : Alternative splicing in the pore-forming region of TRPM3 defines the channel’s pharmacol. properties, which depend critically on the length of the pore-forming loop.

British Journal of Pharmacology published new progress about 21829-25-4. 21829-25-4 belongs to pyridine-derivatives, auxiliary class Membrane Transporter/Ion Channel,Calcium Channel, name is Dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, and the molecular formula is C17H18N2O6, Application of Dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate.

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

Bagley, Mark C. published the artcileRapid Protium-Deuterium Exchange of 4-Aminopyridines in Neutral D₂O under Microwave Irradiation, Recommanded Product: 4-Amino-2-picoline, the publication is Synlett (2016), 27(17), 2467-2472, database is CAplus.

4-Aminopyridines underwent rapid and highly selective H/D exchange at C-2 and C-6 in neutral D₂O upon microwave irradiation at only 190° for two hours in a sealed vessel. This method contrasted and complemented the acid-mediated H/D exchange, required no catalyst, and was appropriate for the synthesis of deuterium isotopologues of N- and C-substituted 4-aminopyridines and other nitrogen heterocycles.

Synlett published new progress about 18437-58-6. 18437-58-6 belongs to pyridine-derivatives, auxiliary class Pyridine,Amine, name is 4-Amino-2-picoline, and the molecular formula is C6H8N2, Recommanded Product: 4-Amino-2-picoline.

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

Singh, Rahul published the artcileNickel-Catalyzed C-S Bond Formation: Synthesis of Aryl Sulfides from Arylsulfonyl Hydrazides and Boronic Acids, Computed Properties of 197958-29-5, the publication is Advanced Synthesis & Catalysis (2015), 357(6), 1181-1186, database is CAplus.

A practical nickel-catalyzed approach for the C-S bond formation through the cross-coupling of arylsulfonyl hydrazides RSO₂NHNH₂ [R = CH₃(CH₂)₇, C₆H₅, 4-O₂NC₆H₄, etc.] and aryl boronic acids R¹B(OH)₂ (R¹ = naphthalen-2-yl, 4-ClC₆H₄, pyridin-2-yl, etc.) has been developed. The report employs arylsulfonyl hydrazide as an aryl thiol equivalent and offers a mild and eco-safe synthesis of unsym. thioethers RSR¹ in good to excellent yields in air. The scope and versatility of the method has been successfully demonstrated with 22 examples.

Advanced Synthesis & Catalysis published new progress about 197958-29-5. 197958-29-5 belongs to pyridine-derivatives, auxiliary class Pyridine,Boronic acid and ester, name is 2-Pyridinylboronic acid, and the molecular formula is C17H16O2, Computed Properties of 197958-29-5.

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

Haddad, P. R. published the artcileSpectrophotometric and fluorometric determination of cobalt, Name: 2-((2-(Pyridin-2-yl)hydrazono)methyl)pyridine, the publication is Talanta (1976), 23(4), 275-81, database is CAplus and MEDLINE.

Co(II) reacts with pyridine-2-aldehyde-2-pyridyl hydrazone (L) and eosine (L1) at pH 5.6 to give the ternary complex CoL(HL)L12 which is extracted by CHCl3-Me2CO (7:3) to give a strongly colored, fluorescent extract Linear calibration curves for absorption at 547 nm and fluorescence at 558 nm were obtained for 0.04-0.4 and 0.02-0.2 ppm Co, resp. Relative standard deviations were 2.2 and 6.1% and detection limits were 0.017 and 0.008 ppm Co for absorption and fluorescence, resp. Interferences from Cu(II) were eliminated by electrodeposition of Cu and from Ni, Fe(II), Pd(II), and Hg(II) by ion exchange, giving recoveries of >98%. The method was successfully applied to determination of Co in steels.

Talanta published new progress about 2215-33-0. 2215-33-0 belongs to pyridine-derivatives, auxiliary class Pyridine,Amine, name is 2-((2-(Pyridin-2-yl)hydrazono)methyl)pyridine, and the molecular formula is C11H10N4, Name: 2-((2-(Pyridin-2-yl)hydrazono)methyl)pyridine.

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

Tavares, Ana Beatriz M. L. A. published the artcileA Quantum Chemistry Approach of Breast Cancer Drugs Bound to Human Serum Albumin, Safety of Phenyl(pyridin-2-yl)methanone, the publication is Advanced Theory and Simulations (2022), 5(5), 2100464, database is CAplus.

The bindings of three different anticancer drugs, Cu(BpT)Br (2-benzoylpyridine thiosemicarbazone copper), NAMI-A (imidazolium trans-imidazoledimethylsulfoxide-tetrachlorido ruthenate), and DOX (doxorubicin), widely used in the breast cancer treatment, to human serum albumin (HSA) are investigated using a quantum chem. approach based on the d. functional theory calculations employing a dispersion corrected exchange-correlation functional within a fragmentation strategy. As a consequence, it is possible to identify the magnitude of the most relevant quantum binding interactions of these supramol. complexes, and thus guide their mol. modification process. The data obtained in this work highlight the power of quantum calculations as an important tool for the drug design process, and pave the way for the use of HSA-ligand interactions during the rational design of new anticancer compounds More important, the results show that HSA/multi-drug complex, formed by the combination of the three individual anticancer drugs [Cu(BpT)Br]-(NAMI-A)-(DOX), increases the targeting ability compared with each single drugs interaction with HSA, in agreement with in vivo predictions.

Advanced Theory and Simulations published new progress about 91-02-1. 91-02-1 belongs to pyridine-derivatives, auxiliary class Pyridine,Benzene,Ketone, name is Phenyl(pyridin-2-yl)methanone, and the molecular formula is CBF6K, Safety of Phenyl(pyridin-2-yl)methanone.

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