Tag: M.W=100-150

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

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

Sabat, Mark published the artcileDiscovery of the Bruton’s Tyrosine Kinase Inhibitor Clinical Candidate TAK-020 (S)-5-(1-((1-Acryloylpyrrolidin-3-yl)oxy)isoquinolin-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one, by Fragment-Based Drug Design, Formula: C6H4N2, the main research area is brutons tyrosine kinase inhibitor TAK020 rheumatoid arthritis antiarthritic.

This publication details the successful use of FBDD (fragment-based drug discovery) principles in the invention of a novel covalent Bruton’s tyrosine kinase inhibitor, which ultimately became the Takeda Pharmaceuticals clin. candidate TAK-020. Described herein are the discovery of the fragment 5-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one, the subsequent optimization of this hit mol. to the candidate, and synthesis and performance in pharmacodynamic and efficacy models along with direct biophys. comparison of TAK-020 with other clin.-level assets and the marketed drug Ibrutinib.

Journal of Medicinal Chemistry published new progress about Antiarthritics. 100-70-9 belongs to class nitriles-buliding-blocks, name is Picolinonitrile, and the molecular formula is C6H4N2, Formula: C6H4N2.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Stankiewicz, Anna published the artcileNew 1,2,4-oxadiazole derivatives with positive metabotropic glutamate receptor4 modulation activity and antipsychotic-like properties, SDS of cas: 100-70-9, the main research area is aryl arylamido oxadiazole preparation metabotropic glutamate receptor modulating antipsychotic; arylsulfonamido aryl oxadiazole preparation metabotropic glutamate receptor modulating antipsychotic; 1,2,4-oxadiazoles; Metabotropic glutamate receptor 4 (mGlu4 receptor); antipsychotic properties; anxiolytics; positive allosteric modulator (PAM).

Considering the allosteric regulation of mGlu receptors for potential therapeutic applications, we developed a group of 1,2,4-oxadiazole derivatives that displayed mGlu4 receptor pos. allosteric modulatory activity (EC50 = 282-656 nM). Selectivity screening revealed that they were devoid of activity at mGlu1, mGlu2 and mGlu5 receptors, but modulated mGlu7 and mGlu8 receptors, thus were classified as group III-preferring mGlu receptor agents. None of the compounds was active towards hERG channels or in the mini-AMES test. The most potent in vitro mGlu4 PAM derivative (N-(3-chloro-4-(5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl)phenyl)picolinamide) was readily absorbed after i.p. administration (male Albino Swiss mice) and reached a maximum brain concentration of 949.76 ng/mL. Five modulators demonstrated significant anxiolytic- and antipsychotic-like properties in the SIH and DOI-induced head twitch test, resp. Promising data were obtained, especially for N-(4-(5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl)-3-methylphenyl)picolinamide (62), whose effects in the DOI-induced head twitch test were comparable to those of clozapine and better than those reported for the selective mGlu4 PAM ADX88178.

Journal of Enzyme Inhibition and Medicinal Chemistry published new progress about Antipsychotics. 100-70-9 belongs to class nitriles-buliding-blocks, name is Picolinonitrile, and the molecular formula is C6H4N2, SDS of cas: 100-70-9.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

You, Bingxin published the artcileAu Nanoparticles Supported by Porous Aromatic Frameworks-Efficient and Recyclable Catalysts for Nitro Reduction, Category: nitriles-buliding-blocks, the main research area is gold nanoparticle nitro reduction recyclable catalyst porous aromatic framework.

A strategy has been developed for the preparation of gold nanoparticles (Au NPs) supported by porous aromatic frameworks (Au@PAF-184, Au@PAF-185) with high Au NPs loading, good stability and excellent activity. This approach contains two steps: the first step is ion exchange between cationic porous aromatic frameworks with NaAuCl4, fixing AuCl4- by the electrostatic interaction between anions and cations; the second step is reduction with NaBH4. Au@PAF-184 and Au@PAF-185 were successfully prepared accordingly. In comparison with the previously prepared similar types of materials such as Au@PAF-93 (2.86 wt% Au loading) and Au@PAF-94 (4.69 wt% Au loading) prepared by coordination and reduction, etc., the loading of Au NPs of Au@PAF-184 (24.2 wt% Au loading) and Au@PAF-185 (34.9 wt% Au loading) has increased by about 8 times. When employed as catalysts for nitrobenzene reduction, both Au@PAF-184 and Au@PAF-185 exhibited high catalytic activity and excellent reusability.

Catalysts published new progress about Binding energy. 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, Category: nitriles-buliding-blocks.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Martin-Biosca, Yolanda published the artcileMonod-based ‘single-data’ strategy for biodegradation screening tests, Safety of Phthalonitrile, the main research area is biodegradation single data strategy Monod kinetics simulation.

Obtaining biodegradation data over time can be difficult, especially when dealing with environmental compartments of increasing complexity. We evaluated the possibility of obtaining a full biodegradation depletion curve from a single biodegradation-time exptl. measurement, and found that environmental information related to potential chem. persistence can be derived. In these tests, the removal of the tested compound is measured over a prefixed period of time (e.g. 28 days in ready biodegradability tests) to derive a substrate depletion curve. The implementation can be time-consuming, costly and difficult, especially when the complexity of the environmental compartment increases. In this work, the possibility of obtaining a full biodegradation depletion curve from a single biodegradation-time exptl. data point (‘single-data’ strategy) was evaluated. Monod kinetics are assumed to avoid the limitations related to first-order kinetics (only valid for very low substrate concentrations). The effects on the estimates of several variables (e.g. Monod kinetics parameters, compound concentration or variability in biodegradation data) and the errors introduced to some of the variables were also evaluated. The applicability and practical limitations of the ‘single-data’ strategy have been illustrated using exptl. data for several compounds ranging from readily biodegradable (e.g. benzoic acid, acetylsalicylic acid, p-toluic acid) to potentially persistent compounds (e.g. bupivacaine, p-phenitidine, phtadinitrile).

Environmental Chemistry published new progress about Biodegradation. 91-15-6 belongs to class nitriles-buliding-blocks, name is Phthalonitrile, and the molecular formula is C8H4N2, Safety of Phthalonitrile.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Zhao, Yun-Xiu published the artcileBioinformatics of a novel nitrile hydratase gene cluster of the N2-fixing bacterium Microvirga flocculans CGMCC 1.16731 and characterization of the enzyme, Application of Picolinonitrile, the main research area is nitrile hydratase PnhF Microvirga structure neonicotinoid insecticide bioremediation; enzymatic mechanism; flonicamid; gene structure.

Microvirga flocculans CGMCC 1.16731 can degrade many cyano group-containing neonicotinoid insecticides. Here, its genome was sequenced, and a novel nitrile hydratase gene cluster was discovered in a plasmid. The NHase gene cluster (pnhF) has gene structure β-subunit 1, α-subunit, and β-subunit 2, which is different from previously reported NHase gene structures. Phylogenetic anal. of α-subunits indicated that NHases containing the three subunit (β1αβ2) structure are independent from NHases containing two subunits (αβ). PnhF was successfully expressed in Escherichia coli, and the purified PnhF could convert the nitrile-containing insecticide flonicamid to N-(4-trifluoromethylnicotinoyl)glycinamide. The enzymic properties of PnhF were investigated using flonicamid as a substrate. Homol. models revealed that amino acid residue β1-Glu56 may strongly affect the catalytic activity of PnhF. This study expands our understanding of the structures and functions of NHases and the enzymic mechanism of the environmental fate of flonicamid.

Journal of Agricultural and Food Chemistry published new progress about Bioremediation. 100-70-9 belongs to class nitriles-buliding-blocks, name is Picolinonitrile, and the molecular formula is C6H4N2, Application of Picolinonitrile.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Yilmaz, Yusuf published the artcileSynthesis and spectroscopic characterization of new phthalocyanine derivatives: application as photocatalysts for the degradation of Orange G, Formula: C8H4N2, the main research area is phthalocyanine photocatalyst OrangeG degradation.

New derivatives of 2(3),9(10),16(17),23(24)-tetrakis-(6-methylpyridin-2-yloxy)phthalocyanine (Pc) (2b, 2c, and 2d) were synthesized and their structures were characterized by elemental anal., IR, 1 H NMR, and high-resolution mass spectrometry. The spectral results were in line with the proposed structures. The photodegradation of Orange G (OG) dye in DMSO by the Pc derivatives was investigated. The compounds showed relatively high photodegradation rates that increased with increasing size of the central atoms. The Pc photodegradation rates showed fair correlation with the singlet oxygen generation efficiencies (φΔ) . The observed rate constants were higher than the values already reported for other Pcs in the literature for the photodegradation of OG in aqueous media.

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

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Ansel, Annabel Q. published the artcileCombined Cyanoborylation, C-H Activation Strategy for Styrene Functionalization, Safety of 2-Aminobenzonitrile(Flakes or Chunks), the main research area is styrene multicomponent copper catalyst borylation cyanation regioselective acetoxylation; diarylethane preparation.

A one-pot multicomponent copper-catalyzed protocol for borylation/ortho-cyanation of styrene derivatives followed by a Suzuki-Miyaura coupling provides a platform to explore the factors that control the selectivity between distal or proximal functionalization of arenes. The development of divergent nitrile-directed C-H functionalization (acetoxylation, pivalation, and methoxylation) offers an effective approach to rapidly increase synthetic complexity. Finally, the development of a mild reductive decyanation allows a traceless method to access functionalized biaryl motifs.

Organic Letters published new progress about Acetoxylation. 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, Safety of 2-Aminobenzonitrile(Flakes or Chunks).

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Goyal, Vishakha published the artcileCarbon-Supported Cobalt Nanoparticles as Catalysts for the Selective Hydrogenation of Nitroarenes to Arylamines and Pharmaceuticals, Quality Control of 1885-29-6, the main research area is carbon supported cobalt nanoparticle preparation hydrogenation catalyst; arylamine preparation hydrogenation catalyst nitroarene.

Chemoselective hydrogenation of nitroarenes under industrially viable conditions is one of the attractive reaction for chem., pharma, and pesticide industries. Herein, we report a reusable, stable, and renewable carbon-supported cobalt nanocatalyst (Co/MA-800) for the chemoselective reduction of structurally diverse nitroarenes with mol. hydrogen. The Co/MA-800 nanocatalyst was prepared via simple and straightforward carbonization of macroalgae and characterized by transmission electron microscopy, X-ray diffraction, XPS, H2-temperature programmed reduction, N2 adsorption-desorption, and Raman spectroscopy. The cobalt content in Co/MA-800 is determined by inductively coupled plasma-at. emission spectroscopy anal. Furthermore, we show the hydrogenation of four marketed nitro pharmaceuticals that were selectively transformed to the resp. primary anilines in excellent yields. We also demonstrate the synthesis of two industrially relevant key pharma intermediates on the ~1 g scale, which are further employed in the preparation of drug compounds such as Linezolid and Tizanidine. The Co/MA-800 nanocatalyst was also active for the reductive amination of benzaldehyde and nitroarenes to achieve imines in good yields. In addition, the Co/MA-800 nanocatalyst is recycled 5 times without significant drop in catalytic activity.

ACS Applied Nano Materials published new progress about Algae, macro-. 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, Quality Control of 1885-29-6.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts