Day: October 12, 2022

Li, Rui-Jun; Chen, Li; Yan, Zong-Cheng published the artcile< Synthesis of Trimethylolpropane Esters of Oleic Acid Using a Multi-SO3H-Functionalized Ionic Liquid as an Efficient Catalyst>, Reference of 21876-43-7, the main research area is trimethylolpropane oleic triester acidic ionic liquid catalyst.

Biodegradable trimethylolpropane triesters of oleic acid were synthesized by esterification of trimethylolpropane and oleic acid over a multi-SO3H-functionalized strong Bronsted acidic ionic liquid as the catalyst. The results showed that the esterification can proceed satisfactorily over the catalyst at an ambient pressure even without simultaneous removal of water. Under the optimal reaction conditions (temperature: 100 °C, reaction time: 3 h, reactant molar ratio: 3.6:1), and catalyst amount, high conversion rate of trimethylolpropane (99.0%) and selectivity of trimethylolpropane triester (92.1%) were obtained. The ionic liquid was reused six times after the removal of water and no obvious change in catalytic activity was detected. Operational simplicity, high yields along with good reusability makes the multi-SO3H-functionalized ionic liquid a promising catalyst for the esterification of trimethylolpropane with oleic acid.

Journal of the American Oil Chemists’ Society published new progress about Biodegradable materials (polymeric). 21876-43-7 belongs to class pyridine-derivatives, and the molecular formula is C9H13NO3S, Reference of 21876-43-7.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Gurgul, Ilona; Mazuryk, Olga; Stachyra, Kamila; Olszanecki, Rafal; Lekka, Malgorzata; Lomzik, Michal; Suzenet, Franck; Gros, Philippe C.; Brindell, Malgorzata published the artcile< Impact of Polypyridyl Ru Complexes on Angiogenesis-Contribution to Their Antimetastatic Activity>, HPLC of Formula: 366-18-7, the main research area is angiogenesis; cell adhesion properties; cell elasticity; cytotoxicity; endothelial cells; focal adhesions; migration; polypyridyl ruthenium (II) complexes; pseudovessel formation.

The use of polypyridyl Ru complexes to inhibit metastasis is a novel approach, and recent studies have shown promising results. We have reported recently that Ru (II) complexes gathering two 4,7-diphenyl-1,10-phenanthroline (dip) ligands and the one being 2,2′-bipyridine (bpy) or its derivative with a 4-[3-(2-nitro-1H-imidazol-1-yl)propyl (bpy-NitroIm) or 5-(4-{4′-methyl-[2,2′-bipyridine]-4-yl}but-1-yn-1-yl)pyridine-2-carbaldehyde semicarbazone (bpy-SC) moieties can alter the metastatic cascade, among others, by modulating cell adhesion properties. In this work, we show further studies of this group of complexes by evaluating their effect on HMEC-1 endothelial cells. While all the tested complexes significantly inhibited the endothelial cell migration, Ru-bpy addnl. interrupted the pseudovessels formation. Functional changes in endothelial cells might arise from the impact of the studied compounds on cell elasticity and expression of proteins (vinculin and paxillin) involved in focal adhesions. Furthermore, mol. studies showed that complexes modulate the expression of cell adhesion mols., which has been suggested to be one of the factors that mediate the activation of angiogenesis. Based on the performed studies, we can conclude that the investigated polypyridyl Ru (II) complexes can deregulate the functionality of endothelial cells which may lead to the inhibition of angiogenesis.

International Journal of Molecular Sciences published new progress about 366-18-7. 366-18-7 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2, HPLC of Formula: 366-18-7.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Malhotra, Rajesh; Rarhi, Chhanda; Diveshkumar, K. V.; Bommisetti, P.; Pany, Sushree Prangya P.; Roy, Subho; Pradeepkumar, P. I.; Kundu, Mrinalkanti published the artcile< Pyridopyrimidinone Derivatives as ΙDNAG-Quadruplex-Stabilizing Agents: Design, Synthesis and Biophysical Studies>, HPLC of Formula: 188577-68-6, the main research area is pyridopyrimidinone preparation quadruplex DNA stabilizer.

With an aim to engineer drug-like properties, pyridopyrimidinone based selective G4 DNA stabilizing agents, e.g., I were designed, synthesized and further they were evaluated for G4 DNA recognition properties. CD melting studies revealed the preferential stabilization of parallel topol. of promoter c-MYC and c-KIT G4 DNAs by the ligands, especially compound I and 4-[7-chloro-3-methyl-8-(4-methyl-piperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yloxymethyl]-N-(2-dimethylamino-ethyl)-benzamide, over the different topologies of telomeric G4 DNA. UV melting experiments suggested that no significant stabilization was observed for duplex DNA. Further, the results from ITC experiments substantiated the preferential stabilization of parallel topol. of c-MYC G4 DNA over telomeric and duplex DNA by the ligands I. These data showed that ligand I has moderate binding affinity to the c-MYC G4 DNA and is ~49-fold and ~25-fold selective over the telomeric G4 DNA and the duplex DNA resp. The mol. modeling and dynamics studies of the ligand I in complex with c-MYC and c-KIT1 G4 DNAs showed that this ligand stacks on the 5′-quartet of c-MYC and 3′-quartet of c-KIT1 G4 DNA structures.

ChemistrySelect published new progress about Circular dichroism. 188577-68-6 belongs to class pyridine-derivatives, and the molecular formula is C5H4Cl2N2, HPLC of Formula: 188577-68-6.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Hao, Pengfei; Guo, Chunyu; Wang, Meidan; Shen, Junju; Fu, Yunlong published the artcile< Lattice Water Controlled Photo- and Thermochromism of N-Protonated Carbomethoxypyridinium Iodoargentate Hybrids>, Quality Control of 93-60-7, the main research area is lattice water controlled photochromism thermochromism protonated carbomethoxypyridinium iodoargentate hybrid; silver iodide protonated carbomethoxypyridinium preparation crystal structure; thermochromism hydration dehydration induced protonated carbomethoxypyridinium iodoargentate; photochromism intermol charge transfer protonated carbomethoxypyridinium iodoargentate.

Two iodoargentate hybrids, {[HNOM][AgI2]·H2O} (1) and {[HINOM][AgI2]·H2O} (2) (HNOM+ = N-protonated 3-carbomethoxypyridinium; HINOM+ = N-protonated 4-carbomethoxypyridinium), were designed and prepared, which were constructed from typical [AgI2]- inorganic chains and cationic H-bonding supramol. networks (1-dimensional for 1 and three-dimensional for 2) of lattice H2O and positional isomeric N-protonated carbomethoxypyridinium. Two hybrids exhibit sensitive photochromism based on intermol. electron transfer (ET) and thermochromism due to reversible hydration and dehydration and the consequent variation of intermol. charge transfer (CT). Also, loss of lattice H2O gives rise to improved photochromic dehydrated form 1T and optically inert dehydrated form 2T, suggesting a delicate modulating effect of lattice contraction on the intermol. CT and ET as well as consequently photoresponsive behaviors.

Inorganic Chemistry published new progress about Charge transfer interaction (hydration/dehydration induced). 93-60-7 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO2, Quality Control of 93-60-7.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Heath, Julie A.; Mehrotra, Mukund M.; Chi, Shannon; Yu, Jin-Chen; Hutchaleelaha, Athiwat; Hollenbach, Stanley J.; Giese, Neill A.; Scarborough, Robert M.; Pandey, Anjali published the artcile< Identification of 4-piperazin-1-yl-quinazoline template based aryl and benzyl thioureas as potent, selective, and orally bioavailable inhibitors of platelet-derived growth factor (PDGF) receptor>, SDS of cas: 56622-54-9, the main research area is PDGF receptor inhibitor thiourea derivative structure activity cancer.

4-[4-(N-Substituted-thio-carbamoyl)-1-piperazinyl]-6-methoxy-7-alkoxyamino-quinazoline derivatives such as 14 (CT53986) have been identified to be potent and selective inhibitors of the phosphorylation of PDGFR. SAR-investigations are described in the arylamine segment, C-7 appendage, and the thiourea moiety. Bioisosteres of thiourea (cyanoguanidine), and of quinazoline (quinoline-3-carbonitrile) were synthesized and are compared for their in vitro inhibitory activity. PK profiles of the optimized compounds in rat, dog, and cynomolgus monkey are described.

Bioorganic & Medicinal Chemistry Letters published new progress about c-Kit proteins Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 56622-54-9 belongs to class pyridine-derivatives, and the molecular formula is C7H10N2, SDS of cas: 56622-54-9.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Messick, Troy E.; Tolvinski, Lois; Zartler, Edward R.; Moberg, Anna; Frostell, Asa; Smith, Garry R.; Reitz, Allen B.; Lieberman, Paul M. published the artcile< Biophysical screens identify fragments that bind to the viral DNA-binding proteins EBNA1 and LANA>, Synthetic Route of 86129-63-7, the main research area is DNA EBNA1 LANA protein ligand interaction binding fragment NMR; biophys screen surface plasmon resonance saturation transfer difference; Epstein–Barr nuclear antigen 1; Epstein–Barr virus; Kaposi’s sarcoma associated herpesvirus (KSHV); fragment-based lead discovery; latency-associated nuclear antigen; protein–DNA interaction; saturation transfer difference-nuclear magnetic resonance; surface plasmon resonance.

The human gamma-herpesviruses Epstein-Barr virus (EBV) (HHV-4) and Kaposi’s sarcoma-associated herpesvirus (KSHV) (HHV-8) are responsible for a number of diseases, including various types of cancer. Epstein-Barr nuclear antigen 1 (EBNA1) from EBV and latency-associated nuclear antigen (LANA) from KSHV are viral-encoded DNA-binding proteins that are essential for the replication and maintenance of their resp. viral genomes during latent, oncogenic infection. As such, EBNA1 and LANA are attractive targets for the development of small-mol. inhibitors. To this end, we performed a biophys. screen of EBNA1 and LANA using a fragment library by saturation transfer difference (STD)-NMR spectroscopy and surface plasmon resonance (SPR). We identified and validated a number of unique fragment hits that bind to EBNA1 or LANA. We also determined the high-resolution crystal structure of one fragment bound to EBNA1. Results from this screening cascade provide new chem. starting points for the further development of potent inhibitors for this class of viral proteins.

Molecules published new progress about Affinity. 86129-63-7 belongs to class pyridine-derivatives, and the molecular formula is C9H9Cl2NO2, Synthetic Route of 86129-63-7.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Moreau, Robert J.; Skepper, Colin K.; Appleton, Brent A.; Blechschmidt, Anke; Balibar, Carl J.; Benton, Bret M.; Drumm, Joseph E.; Feng, Brian Y.; Geng, Mei; Li, Cindy; Lindvall, Mika K.; Lingel, Andreas; Lu, Yipin; Mamo, Mulugeta; Mergo, Wosenu; Polyakov, Valery; Smith, Thomas M.; Takeoka, Kenneth; Uehara, Kyoko; Wang, Lisha; Wei, Jun-Rong; Weiss, Andrew H.; Xie, Lili; Xu, Wenjian; Zhang, Qiong; de Vicente, Javier published the artcile< Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria>, Computed Properties of 19346-45-3, the main research area is triazolopyrimidinone preparation phosphopantetheine adenylyltransferase inhibitory activity; azabenzimidazole preparation phosphopantetheine adenylyltransferase inhibitory activity.

The discovery and development of new antibiotics capable of curing infections due to multidrug-resistant and pandrug-resistant Gram-neg. bacteria is a major challenge with fundamental importance to our global healthcare system. Part of our broad program at Novartis to address this urgent, unmet need includes the search for new agents that inhibit novel bacterial targets. Here we report the discovery and hit-to-lead optimization of new inhibitors of phosphopantetheine adenylyltransferase (PPAT) from Gram-neg. bacteria. Utilizing a fragment-based screening approach, we discovered a number of unique scaffolds capable of interacting with the pantetheine site of E. coli PPAT and inhibiting enzymic activity, including triazolopyrimidinone. Structure-based optimization resulted in the identification of two lead compounds as selective, small mol. inhibitors of bacterial PPAT: triazolopyrimidinone I and azabenzimidazole II efficiently inhibited E. coli and P. aeruginosa PPAT and displayed modest cellular potency against the efflux-deficient E. coli ΔtolC mutant strain.

Journal of Medicinal Chemistry published new progress about Antibiotics. 19346-45-3 belongs to class pyridine-derivatives, and the molecular formula is C6H5FN2O2, Computed Properties of 19346-45-3.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Gan, Xinmin; Showalter, Hollis D. published the artcile< A concise synthesis of 3-substituted-7-amino-6-carboxyl-8-azachromones>, Application of C11H16BNO2, the main research area is azachromone amino carboxyl preparation; 4H-pyrano[2,3-b]pyridin-4-one; 8-azachromone; obesity; palladium catalyzed cross-couplings.

We report on an approach to truncate the tricyclic 5H-chromeno[2,3-b]pyridin-5-one core of amlexanox, an approved drug under investigation for the treatment of obesity, to the bicyclic 4H-pyrano[2,3-b]pyridin-4-one (8-azachromone) core. A short, concise synthesis generates a key intermediate with requisite functionality on the pyridyl A-ring and iodo functionality on the 4-pyrone B-ring upon which palladium-catalyzed cross-coupling and subsequent reactions generate representative analogs. One of these shows a 14.2-fold increase in aqueous solubility over amlexanox.

Tetrahedron Letters published new progress about Chromones Role: SPN (Synthetic Preparation), PREP (Preparation) (aza). 329214-79-1 belongs to class pyridine-derivatives, and the molecular formula is C11H16BNO2, Application of C11H16BNO2.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Ielasi, Guido; Alcover, Gerard; Casellas, Josep; de Graaf, Coen; Orellana, Guillermo; Reguero, Mar published the artcile< Computer-aided design of short-lived phosphorescent Ru(II) polarity probes>, Name: 4,4′-Dichloro-2,2′-bipyridine, the main research area is ruthenium polypyridyl complex fluorescent polarity density functional theory.

Fluorescent polarity probes are usually based on intramol. charge transfer excited states of selected dyes, the behavior of which in different solvents is traditionally rationalized by the well-known Lippert-Mataga treatment of the “”general solvents effect””. Less often transition metal coordination complexes are used as luminescent probes, even though the spectroscopic properties of these dyes are usually dependent on the environment. This is the case of Ru(II) polypyridyls, which are good candidates to develop robust sensitive polarity probes because of their lowest-lying metal-to-ligand charge transfer triplet emissive state, provided their chelating ligands structure is judiciously tuned. The aim of this work has been to design a computational strategy to forecast the behavior of polarity-sensitive Ru(II) complexes without the need to prepare a large set of candidates. In particular, we have analyzed a number of complexes derived from [Ru(bpy)3]2+ by introducing different pairs of substituents in the 4,4′ positions of one of the three equivalent 2,2′-bipyridine (bpy) moieties. In this way, we have investigated if a direct relationship may be established between the electronic features of the substituent and the Stokes shift sensitivity to the solvent polarity. Our computational data satisfactorily agree with our exptl. results, but they demonstrate that only by explicitly performing the calculation of the Stokes shift in different media for each candidate, it is possible to select the best Ru(II) dyes to be used as polarity probes.

Dyes and Pigments published new progress about Photoluminescence. 1762-41-0 belongs to class pyridine-derivatives, and the molecular formula is C10H6Cl2N2, Name: 4,4′-Dichloro-2,2′-bipyridine.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Heinz-Kunert, Sherrie L.; Pandya, Ashma; Dang, Viet Thuc; Tran, Phuong Nguyen; Ghosh, Sabari; McElheny, Dan; Santarsiero, Bernard D.; Ren, Zhong; Nguyen, Andy I. published the artcile< Assembly of π-Stacking Helical Peptides into a Porous and Multivariable Proteomimetic Framework>, HPLC of Formula: 366-18-7, the main research area is .

The evolution of proteins from simpler, self-assembled peptides provides a powerful blueprint for the design of complex synthetic materials. Previously, peptide-metal frameworks using short sequences (≤3 residues) have shown great promise as proteomimetic materials that exhibit sophisticated capabilities. However, their development has been hindered due to few variable residues and restricted choice of side-chains that are compatible with metal ions. Herein, we developed a noncovalent strategy featuring π-stacking bipyridyl residues to assemble much longer peptides into crystalline frameworks that tolerate even previously incompatible acidic and basic functionalities and allow an unprecedented level of pore variations. Single-crystal X-ray structures are provided for all variants to guide and validate rational design. These materials exhibit hallmark proteomimetic behaviors such as guest-selective induced fit and assembly of multimetallic units. Significantly, we demonstrate facile optimization of the framework design to substantially increase affinity toward a complex organic mol.

Journal of the American Chemical Society published new progress about 366-18-7. 366-18-7 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2, HPLC of Formula: 366-18-7.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem