Month: December 2022

Gumrukcu, Selin published the artcileIn-situ synthesis of phthalocyanines on electrospun TiO2 nanofiber by solvothermal process for photocatalytic degradation of methylene blue, Recommanded Product: Phthalonitrile, the main research area is phthalocyanine electrospun titanium dioxide nanofiber methylene blue photocatalytic degradation.

Titanium dioxide/phthalocyanine (TiO2/Pc), TiO2/fluor containing phthalocyanine (TiO2/FPc), and TiO2/fluor containing cobalt phthalocyanine (TiO2/FCoPc) had been successfully fabricated by a simple combination of phthalocyanines obtained by insitu synthesis on the surface of TiO2 nanofibers prepared by electrospinning. SEM micrographs and X-ray diffraction anal. indicated that the phthalocyanines uniformly immobilized on the surface of TiO2 nanofibers. Photocatalytic activity of TiO2, TiO2/Pc, TiO2/FPc, TiO2/FCoPc nanofibers for methylene blue in water was comparatively investigated firstly by ultravioletvisible absorption measurements with time, and kinetic parameters were calculated Results indicated that the obtained TiO2/Pc, TiO2/ FPc and TiO2/FCoPc exhibited high photocatalytic activity for the degradation of methylene blue and TiO2/FCoPc was found the best. It showed similar or higher activities than related studies and can be suggested as a promising candidate for environmental and energy applications.

Turkish Journal of Chemistry published new progress about Calcination. 91-15-6 belongs to class nitriles-buliding-blocks, name is Phthalonitrile, and the molecular formula is C8H4N2, Recommanded Product: Phthalonitrile.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Yu, Yancheng published the artcileInsight into the binding mode of HIF-2 agonists through molecular dynamic simulations and biological validation, Recommanded Product: Phthalonitrile, the main research area is hypoxia inducible factor agonist mol dynamic simulation; Agonist; Binding mode; HIF-2; Molecular dynamic simulations.

Hypoxia-inducible factor-2 (HIF-2), a heterodimeric transcriptional protein consisting of HIF-2α and aryl hydrocarbon receptor nuclear translocator (ARNT) subunits, has a broad transcriptional profile that plays a vital role in human oxygen metabolism M1001, a HIF-2 agonist identified by high-throughput screening (HTS), is capable of altering the conformation of Tyr281 of the HIF-2α PAS-B domain and enhancing the affinity of HIF-2α and ARNT for transcriptional activation. M1002, an analog of M1001, shows improved efficacy than M1001. However, the cocrystal structure of M1001 and HIF-2 has some defects in revealing the agonist binding mode due to the relatively low resolution, while the binding mode of M1002 remained unexplored. To in-depth understand agonist binding profiles, herein, the mol. dynamic (MD) simulations was applied to construct a stable agonist-protein model, and a possible binding mode was proposed through the anal. of the binding free energy and hydrogen bonding of the simulation results. Nine compounds were then synthesized and evaluated to verify the proposed binding mode. Among them, compound 10 manifested improved agonistic activity and reduced toxicity compared to M1002. This study provides deep insight into the binding mode of such HIF-2 agonists, which would be useful for designing novel agonists for HIF-2.

European Journal of Medicinal Chemistry published new progress about Bond length. 91-15-6 belongs to class nitriles-buliding-blocks, name is Phthalonitrile, and the molecular formula is C8H4N2, Recommanded Product: Phthalonitrile.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Dahmen, Claudia published the artcileImproving implant materials by coating with nonpeptidic, highly specific integrin ligands, Related Products of nitriles-buliding-blocks, the main research area is diacyl hydrazine preparation integrin ligand implant coating.

Osteoblast adhesion to titanium, a common material for implants, is stimulated by coating with an optimized and highly specific nonpeptidic ligand for the αvβ3 integrin. This new technol. is advantageous to conventional coating by peptides or proteins in many practical aspects (selectivity and activity, stability against enzymic degradation, sterilization, costs).

Angewandte Chemie, International Edition published new progress about Bioadhesion. 199536-01-1 belongs to class nitriles-buliding-blocks, name is Methyl 3-amino-5-cyanobenzoate, and the molecular formula is C9H8N2O2, Related Products of nitriles-buliding-blocks.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Liu, Pingxian published the artcileDesign and synthesis of novel pyrimidine derivatives as potent antitubercular agents, Computed Properties of 1885-29-6, the main research area is ceritinib pyrimidine analog preparation antitubercular mol docking; Antimycobacterial; Ceritinib; Dihydrofolate reductase inhibitors; Pyrimidine derivatives.

The emergence of various drug-resistant Mycobacterium tuberculosis (Mtb) strains has necessitated the exploration of new drugs that lack cross-resistance with existing therapeutics. By screening the MedChemExpress bioactive compound library, ceritinib was identified as a compound with activity against Mtb H37Ra. Ceritinib had a MIC value of 9.0 μM in vitro and demonstrated in vivo efficacy in a BALB/c mouse model infected with autoluminescent H37Ra. Then, 32 novel ceritinib derivatives were synthesized, and their antimycobacterial activities were evaluated in vitro. The antimycobacterial activities of the synthesized compounds were drastically affected by substitutions at position 4 of the pyrimidine nucleus and were enhanced by the presence of 2-isopropoxy-5-methyl-4-(piperidin-4-yl)aniline at position 2 of the pyrimidine nucleus. The in vivo antitubercular activities of the three most potent compounds were evaluated. 5-Chloro-N2-(2-isopropoxy-5-methyl-4-(piperidin-4-yl) phenyl)-N4-(naph thalen-1-yl) pyrimidine-2,4-diamine (I) remarkably reduced the Mtb burden of mice. This result suggested the potential of I as a novel drug with superior antitubercular activities. The results of experiments on the combination of sulfamethoxazole with I and in silico modeling suggest that dihydrofolate reductase is the potential mol. target of I.

European Journal of Medicinal Chemistry published new progress about Antifolates. 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, Computed Properties of 1885-29-6.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Yuan, Jie published the artcileActivating Intersystem Crossing and Aggregation Coupling by CN-Substitution for Efficient Organic Ultralong Room Temperature Phosphorescence, Category: nitriles-buliding-blocks, the main research area is activating intersystem crossing aggregation coupling cyano substitution phosphorescence.

Organic ultralong room-temperature phosphorescence (OURTP) has boomed recent advances of organic optoelectronics with the significant breakthrough in facilitating the intersystem crossing and stabilization of triplet excitons of purely organic materials. However, it remains a challenge in revealing the inherent mechanism of OURTP and the general mol. design principles of OURTP materials have yet to be reached, largely owing to the rather complicated and varied OURTP mol. structures. Here, we propose a facile strategy to design efficient OURTP materials by simply introducing a cyano group (CN) on benzene. On the basis of these very simple OURTP mols., it was found that the simultaneously enhanced intersystem crossing and aggregation coupling are two intrinsic prerequisites in realizing the efficient OURTP. The first observation of the excimer emission from the stabilized singlet excited states offers an important evidence for the mechanism study of OURTP, and the direct CN substitution on the benzene ring would be highly instructive for designing efficient OURTP mols.

Journal of Physical Chemistry C published new progress about Aggregation. 91-15-6 belongs to class nitriles-buliding-blocks, name is Phthalonitrile, and the molecular formula is C8H4N2, Category: nitriles-buliding-blocks.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Galstyan, Anzhela published the artcileExploring the Impact of Coordination-Driven Self Assembly on the Antibacterial Activity of Low-Symmetry Phthalocyanines, COA of Formula: C8H4N2, the main research area is phthalocyanine coordination driven self assembly antimicrobial photodynamic therapy; antimicrobial photodynamic therapy; bacterial biofilm; pH-responsiveness; phthalocyanine; self-assembly.

Understanding the action mechanisms of self-assembled photosensitizers is very important to determine the requirements that constructing monomers should fulfill to obtain nanostructures with the desired function. Here, the synthesis, supramol. aggregation tendency, photophys. properties and antimicrobial photodynamic activity of low symmetry metal-free phthalocyanine is carefully examined and compared with its metalated counterpart. When exposed to the media with different pH values striking differences in the self-assembly of these two derivatives were observed Equilibrium between active and inactive forms of this unique supramol. system were shifted upon change of the microenvironment influencing its biol. activity against Gram-pos. and Gram-neg. bacteria in planktonic and biofilm state. DFT calculations helped to explain possible differences in the aggregate formation, showing that metal-ligand interaction is a key process behind the higher activity of metalated derivative These results point out the importance of intermol. interactions between photosensitizers, which is essential to guide the design of self-assembled phototheranostic agents with improved performance.

ACS Applied Bio Materials published new progress about Aggregation. 91-15-6 belongs to class nitriles-buliding-blocks, name is Phthalonitrile, and the molecular formula is C8H4N2, COA of Formula: C8H4N2.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Tsuhako, Amy Lew published the artcileThe design, synthesis, and biological evaluation of PIM kinase inhibitors, HPLC of Formula: 34133-58-9, the main research area is benzofuropyrimidinone preparation pim kinase inhibitor.

A series of substituted benzofuropyrimidinones with pan-PIM activities and excellent selectivity against a panel of diverse kinases is described. Initial exploration identified aryl benzofuropyrimidinones that were potent, but had cell permeability limitations. Using X-ray crystal structures of the bound PIM-1 complexes with I, II, and III, the authors were able to guide the SAR and identify alkyl benzofuropyrimidinone IV with good PIM potencies, permeability, and oral exposure.

Bioorganic & Medicinal Chemistry Letters published new progress about Homo sapiens. 34133-58-9 belongs to class nitriles-buliding-blocks, name is 4-Hydroxyisophthalonitrile, and the molecular formula is C8H4N2O, HPLC of Formula: 34133-58-9.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Iwaki, Yuzo published the artcileTowards a TREK-1/2 (TWIK-Related K+ Channel 1 and 2) dual activator tool compound: Multi-dimensional optimization of BL-1249, Formula: C7H6N2, the main research area is TREK1 TREK2 potassium ion channel activator; Activator; K(2P) channel; Potassium ion channel; TREK-1; TREK-2.

This letter describes a focused, multi-dimensional optimization campaign around BL-1249, a fenamate class non-steroidal anti-inflammatory and a known activator of the K2P potassium channels TREK-1 (K2P2.1) and TREK-2 (K2P10.1). While BL-1249 has been widely profiled in vitro as a dual TREK-1/2 activator, poor physicochem. and DMPK properties have precluded a deeper understanding of the therapeutic potential of these key K2P channels across a broad spectrum of peripheral and central human disease. Here, we report multi-dimensional SAR that led to a novel TREK-1/2 dual activator chemotype, exemplified by ONO-2960632/VU6011992, with improved DMPK properties, representing a new lead for further optimization towards robust in vivo tool compounds

Bioorganic & Medicinal Chemistry Letters published new progress about Homo sapiens. 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, Formula: C7H6N2.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Bhardwaj, Vijay Kumar published the artcileComputer simulation to identify selective inhibitor for human phosphodiesterase10A, Name: 2-Aminobenzonitrile(Flakes or Chunks), the main research area is phosphodiesterase computer simulation mol docking.

Phosphodiesterases (PDEs) play an important function in transduction of cellular signals by modulating the activation of G-proteins by hydrolyzing cAMP and cGMP. PDE10A has emerged as an inhibitory target for development of effective therapeutics against various disorders such as schizophrenia, psychosis, Huntington disease, and other disorders related to the central nervous system. We utilized various computational methods such as mol. docking, mol. dynamic simulations, and MM-PBSA to find a more potent and selective PDE10A inhibitor compared to papaverine, which is a known standard inhibitor of PDE10A. Mol. docking of papaverine and twenty-eight in house synthesized 3-Methylenisoindolin-1-one based mols. provided two potential lead mols. (mol. #3 and mol. #28), which could be developed as potent PDE10A inhibitors. However, mol. #28 was excluded from further studies due to its cross reactivity with other PDE isoforms. Mol. dynamics and MM-PBSA techniques were used to further analyze the mol. docking results. Mol. #3 binds to the conserved substrate recognizing residue (Gln726) and also fits into the selectivity pocket by anchoring to the hydrophobic residue Tyr693. This study provides a promising candidate mol. that could be developed as a more potent and selective inhibitor of PDE10A.

Journal of Molecular Liquids published new progress about Homo sapiens. 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, Name: 2-Aminobenzonitrile(Flakes or Chunks).

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Koptyaev, A. I. published the artcileLanthanide Double-Decker Complexes with Tetra-tert-butyltetrabenzoporphyrin and Phthalocyanine Ligands. Synthesis and Properties, Recommanded Product: Phthalonitrile, the main research area is lanthanide lutetium erbium dysprosium gadolinium europium tetrabenzoporphyrin phthalocyanine preparation; uv vis luminescence lanthanide double decker complex tetrabenzoporphyrin phthalocyanine.

Mixed-ligand double-decker lutetium, erbium, dysprosium, gadolinium, and europium complexes with tetra-tert-butyltetrabenzoporphyrin and phthalocyanine have been synthesized, and their structure was confirmed by IR, 1H NMR, and mass spectra. Relations have been found between the electronic absorption and luminescence spectra of the complexes and radius of the central metal ion.

Russian Journal of Organic Chemistry published new progress about Fluorescence. 91-15-6 belongs to class nitriles-buliding-blocks, name is Phthalonitrile, and the molecular formula is C8H4N2, Recommanded Product: Phthalonitrile.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts