Day: December 5, 2022

Aoki, Toshihiro published the artcileOptimizing the Physicochemical Properties of Raf/MEK Inhibitors by Nitrogen Scanning, Synthetic Route of 18437-58-6, the publication is ACS Medicinal Chemistry Letters (2014), 5(4), 309-314, database is CAplus and MEDLINE.

Substituting a carbon atom with a nitrogen atom (nitrogen substitution) on an aromatic ring in our leads I and II (X⁸ = X⁹ = CH) by applying nitrogen scanning afforded a set of compounds that improved not only the solubility but also the metabolic stability. The impact after nitrogen substitution on interactions between a derivative and its on- and off-target proteins (Raf/MEK, CYPs, and hERG channel) was also detected with most of them contributing to weaker interactions. After identifying the positions that kept inhibitory activity on HCT116 cell growth and Raf/MEK, compound II (X⁸ = X⁹ = N) (CH5126766/RO5126766) was selected as a clin. compound A phase I clin. trial is ongoing for solid cancers.

ACS Medicinal Chemistry Letters 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, Synthetic Route of 18437-58-6.

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

Kim, Min Jun published the artcileHeme oxygenase-1 gene delivery for altering high mobility group box-1 protein in pancreatic islet, Synthetic Route of 21829-25-4, the publication is Journal of Controlled Release (2022), 326-337, database is CAplus and MEDLINE.

Pancreatic islet transplantation is a promising strategy for the treatment of type I diabetes. High-mobility group box-1 (HMGB1), highly expressed in islet cells, is a potent immune stimulator in immune rejection. Heme oxygenase-1 (HO1) gene therapy can modulate the release of HMGB1 by altering intracellular mols. for successful cell transplantation. After delivery of the heme oxygenase-1 (HO1) gene to islet cells using an adeno-associated viral vector (AAV), it was evaluated the changes in cytoplasmic Ca2+ ions and calcineurin activity as well as histone acetyltransferase (HAT) and Poly(ADP) ribose polymerase-1 (PARP-1). Inhibition of HMGB1 release was evaluated through altering these intracellular mols. Then, after transplantation of HO1-transduced islets, the therapeutic effect of them was evaluated through measuring blood glucose level to diabetic mice and through immunohistochem. anal. The transduced HO1 gene significantly inhibited HMGB1 release in islets that was under the cell damage by hypoxia exposure. It was confirmed that this result was initially due to the decrease in cytoplasmic Ca2+ ion concentration and calcineurin activity. In addition, the delivered HO1 gene simultaneously reduced the activity of HAT and PARP-1, which are involved in the translocation of HMGB1 from the nucleus to the cytoplasm. As a result, when the HO1 gene-transduced islets were transplanted into diabetic mice, the treatment efficiency of diabetes was effectively improved by increasing the survival rate of the islets. Collectively, these results suggest that HO1 gene transfer can be used for successful islet transplantation by altering the activity of intracellular signal mols. and reducing HMGB1 release.

Journal of Controlled Release 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, Synthetic Route of 21829-25-4.

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

Wu, Guanglu published the artcileQuantitative Supramolecular Heterodimerization for Efficient Energy Transfer, Name: 1,1′-Diphenyl-[4,4′-bipyridine]-1,1′-diium chloride, the publication is Angewandte Chemie, International Edition (2020), 59(37), 15963-15967, database is CAplus and MEDLINE.

The challenge of quant. forming self-assembled heterodimers without other equilibrium byproducts is overcome through self-sorting favored by the introduction of designed shape-complementary moieties. Such a supramol. strategy based on cucurbit[8]uril-directed dimerization is further applied to generate hetero-chromophore dimers quant., leading to efficient energy transfer (>85%) upon photoexcitation.

Angewandte Chemie, International Edition 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 C9H22OSi, Name: 1,1′-Diphenyl-[4,4′-bipyridine]-1,1′-diium chloride.

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

Wang, Xinyi published the artcileRapid screening of illegal additives in functional food using atmospheric pressure solids analysis probe coupled to a portable mass spectrometer, Recommanded Product: Dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, the publication is Journal of Pharmaceutical and Biomedical Analysis (2022), 114722, database is CAplus and MEDLINE.

Pharmaceutical drugs like Sildenafil are illegally added to functional food such as nutritional supplements and herbal remedies to deliver drugs without a regular prescription to consumers. Rapid screening of illegal additives is desirable for the public security department. The seized samples are often large in number and unknown in composition; methods are needed for qual. screening of unknown samples. Here, a new approach is presented based on atm. pressure solids anal. probe (ASAP) coupled with single-quadrupole mass spectrometer to rapidly screen 42 common illegal additives in six categories of functional food. The ASAP-MS method could be applied to solid or liquid sample anal. with a very simple pre-treatment and no LC chromatog. separation, using a home-built library; the identification of suspicious additives could be obtained rapidly. More importantly, the approach is sensitive enough for complex matrix samples like coffee samples. 21 batches of seized unknown samples were tested by the ASAP-MS, and the pos. results were confirmed by LC-MS/MS(QQQ), indicating that the ASAP-MS method is effective and reliable. The ASAP-MS with home-built library is a promising method for rapid screening of illegal additives in functional food, which could be widely used in the grassroots police station that lack professional laboratory environment.

Journal of Pharmaceutical and Biomedical Analysis 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 C9H8BNO2, Recommanded Product: Dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate.

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

Goncalves, Theo P. published the artcileMetal-Ligand Cooperative Reactivity in the (Pseudo)-Dearomatized PN^x(P) Systems: The Influence of the Zwitterionic Form in Dearomatized Pincer Complexes, SDS of cas: 338800-13-8, the publication is Journal of the American Chemical Society (2017), 139(38), 13442-13449, database is CAplus and MEDLINE.

The concept of aromaticity in pincer ligands and complexes was discussed in order to provide insights into their metal-ligand cooperative activities. The aromatic PN^x(P) and dearomatized PN^x(P)* pincer ligands and the corresponding transition metal complexes were studied with the nucleus-independent chem. shift (NICS_zz), anisotropy of the current (induced) d. (ACID), isochem. shielding surfaces (ICSS_zz), harmonic oscillator model of aromaticity (HOMA), MCBO, Shannon aromaticity, and natural bond order (NBO) analyses. The study on the model systems showed that for the dearomatized species the decrease of the NICS(1)_zz value comes with the larger contribution of the aromatic zwitterionic mesomeric form. In all examples, the incorporation of the metal center into the pincer ligand decreases the NICS(1)_zz values. The DFT calculations support the dearomatized pyridine ring in PNP* or PNN* ligand indeed being nonaromatic, in contrast to the PN³(P)* ligand which has partial aromatic character due to the larger contribution of the zwitterionic resonance structure. The difference in aromaticity between the rings contributes to the thermodn. balance of the metal ligand cooperative reactions, changing the energetics of the process when different dearomatized pincer ligands are used. This was further exemplified by aromaticity anal. of the heterolytic hydrogen cleavage reaction of ruthenium PNN complexes of Milstein and the PN³ of Huang, with similar geometries but distinctive thermodn. preference.

Journal of the American Chemical Society 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, SDS of cas: 338800-13-8.

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

Guo, Ruizhi published the artcileOrganoselenium-Catalyzed Synthesis of Oxygen- and Nitrogen-Containing Heterocycles, HPLC of Formula: 107263-95-6, the publication is Organic Letters (2016), 18(3), 504-507, database is CAplus and MEDLINE.

A new and efficient approach for the synthesis of oxygen and nitrogen heterocycles by organoselenium catalysis has been developed. The exo-cyclization proceeded smoothly under mild conditions with good functional group tolerance and excellent regioselectivity. Mechanistic studies revealed that 1-fluoropyridinium triflate is key for oxidative cyclization.

Organic Letters published new progress about 107263-95-6. 107263-95-6 belongs to pyridine-derivatives, auxiliary class Fluorination reagent, name is 1-Fluoropyridiniumtriflate, and the molecular formula is C6H5F4NO3S, HPLC of Formula: 107263-95-6.

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

Li, Jian-Yuan published the artcileDevelopment of DNA-Compatible Suzuki-Miyaura Reaction in Aqueous Media, Computed Properties of 1008506-24-8, the publication is Bioconjugate Chemistry (2018), 29(11), 3841-3846, database is CAplus and MEDLINE.

DNA-encoded chem. libraries (DELs) are a cost-effective technol. for the discovery of novel chem. probes and drug candidates. A major limiting factor in assembling productive DELs is the availability of DNA-compatible chem. reactions in aqueous media. In an effort to increase the chem. accessibility and structural diversity of small mols. displayed by DELs, the authors developed a robust Suzuki-Miyaura reaction protocol that is compatible with the DNA structures. By employing a water-soluble Pd-precatalyst, the authors developed conditions that allow efficient coupling of DNA-linked aryl halides with a wide variety of boronic acids/esters including heteroaryl boronates.

Bioconjugate Chemistry published new progress about 1008506-24-8. 1008506-24-8 belongs to pyridine-derivatives, auxiliary class Pyridine,Boronic acid and ester,Ether,Pyridine,Boronic Acids,Boronic acid and ester, name is 3-Methoxypyridine-4-boronic acid, and the molecular formula is C6H8BNO3, Computed Properties of 1008506-24-8.

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

Chen, Li published the artcileAmide derivatives of Gallic acid: Design, synthesis and evaluation of inhibitory activities against in vitro α-synuclein aggregation, Application of Pyridine-3-sulfonic acid, the publication is Bioorganic & Medicinal Chemistry (2020), 28(15), 115596, database is CAplus and MEDLINE.

Gallic acid (GA), a natural phenolic acid, has received numerous attention because of its anti-oxidative, anti-inflammatory, and anti-cancer activity. More importantly, GA can act as an efficient inhibitor of α-Synuclein (α-Syn) aggregation at early stages. Nevertheless, some evidences suggest that GA is unlikely to cross the blood-brain barrier because of its high hydrophilicity. Hence, GA may not be considered as a promising candidate or entering brain and directly affecting the central nervous system. Accordingly, we have designed and synthesized a series of amide derivatives of GA, some of which possess appropriate lipophilicity and hydrophilicity with LogP (2.09-2.79). Meanwhile, these sheet-like conjugated compounds have good π-electron delocalization and high ability of hydrogen-bond formation. Some compounds have shown better in vitro anti-aggregation activities than GA towards α-Syn, with IC₅₀ down to 0.98μM. The valid modification strategy of GA is considered an efficient way to discover novel inhibitors of α-Syn aggregation.

Bioorganic & Medicinal Chemistry 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, Application of Pyridine-3-sulfonic acid.

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

Lee, Hao-Wei published the artcileComparative efficacy of generic nifedipine versus brand-name amlodipine for hypertension management in Taiwan, Product Details of C17H18N2O6, the publication is Journal of Clinical Hypertension (Hoboken, NJ, United States) (2022), 24(7), 870-877, database is CAplus and MEDLINE.

The control rate of hypertension remains concerning, indicating the requirement for better management strategies. The calcium channel blockers brand-name amlodipine and nifedipine with extended-release formulations demonstrate similar clin. efficacy. However, the efficacy of generic nifedipine remains obscure. We compared the efficacy of generic nifedipine and brand-name amlodipine in terms of cardiovascular (CV) outcomes. Patients prescribed generic nifedipine (SRFC CYH) or brand-name amlodipine besylate (Norvasc, Pfizer) between August 1, 2017, and July 31, 2018, were enrolled; patients with CV events within 3 mo were excluded. CV outcomes included CV death, nonfatal myocardial infarction (MI), nonfatal ischemic stroke, hospitalization for heart failure, and composite endpoints of 3P- and 4P-major adverse cardiac events (MACE). A total of 1625 patients treated with nifedipine (SRFC CYH) and 16 587 patients treated with Norvasc were included. After propensity score matching, there were 995 and 4975 patients in the nifedipine CYH and Norvasc groups, resp. At a mean follow-up period of 30.3 ± 6.4 mo, nifedipine CYH was comparable to Norvasc in terms of CV death (P = .107), nonfatal MI (P = .121), nonfatal ischemic stroke (P = .453), hospitalization for heart failure (P = .330), 3P-MACE (P = .584), and 4P-MACE (P = .274). Cox regression anal. revealed that nifedipine CYH and Norvasc had similar efficacy in terms of 3P-MACE (hazard ratio, 0.970; 95% confidence interval, 0.601-1.565, P = .900) and 4P-MACE (hazard ratio, 0.880; 95% confidence interval, 0.628-1.233, P = .459). In conclusion, Nifedipine SRFC CYH and Norvasc have comparable clin. efficacy for hypertension management.

Journal of Clinical Hypertension (Hoboken, NJ, United States) 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, Product Details of C17H18N2O6.

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

Gui, Yue published the artcilePolymorphic selectivity in crystal nucleation, SDS of cas: 21829-25-4, the publication is Journal of Chemical Physics (2022), 156(14), 144504, database is CAplus and MEDLINE.

Crystal nucleation rates were measured in the supercooled melts of 2 richly polymorphic glass-forming liquids: 5-Me-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile (ROY) and nifedipine (NIF). ROY is known for its crystals of red, orange, and yellow colors and many polymorphs of solved structures. Of the many polymorphs, ON (orange needles) nucleates the fastest with the runner up (Y04) trailing by a factor of 10³ when compared under the same mobility-limited condition, while the other unobsd. polymorphs are slower yet by â‰? orders of magnitude. Of the 6 polymorphs of NIF, γ’ nucleates the fastest, β’ is slower by a factor of 10, and the rest are slower yet by â‰? decades. In both systems, the faster-nucleating polymorphs are not built from the lowest-energy conformers, while they tend to have higher energies and lower densities and thus greater similarity to the liquid phase by these measures. The temperature ranges of this study covered the glass transition temperature T_g of each system, and no evidence that the nucleation rate is sensitive to the passage of T_g were found. At the lowest temperatures studied, the rates of nucleation and growth are proportional to each other, indicating that a similar kinetic barrier controls both processes. The classical nucleation theory provides an accurate description of the observed nucleation rates if the crystal growth rate is used to describe the kinetic barrier for nucleation. The quant. rates of both nucleation and growth for the competing polymorphs enable prediction of the overall rate of crystallization and its polymorphic outcome. (c) 2022 American Institute of Physics.

Journal of Chemical Physics 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, SDS of cas: 21829-25-4.

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