Category: 100-70-9

Zhang, Han published the artcileDesign, synthesis and biological activities of piperidine-spirooxadiazole derivatives as α7 nicotinic receptor antagonists, Formula: C6H4N2, the main research area is benzyl aryl oxa triazaspiro decene preparation SAR; aryl oxa triazaspiro decene preparation mol docking SAR; Antagonists; Piperidine-spirooxadiazole derivatives; SAR; α7 nAChR.

7 Nicotinic acetylcholine receptors (nAChRs) expressed in the nervous and immune systems was suggested to play important roles in the control of inflammation. However, the lack of antagonist tools specifically inhibiting α7 nAChR impedes the validation of the channel as therapeutic target. To discover a selective α7 antagonist, a pharmacophore-based virtual screening and identified a piperidine-spirooxadiazole derivative T761-0184 that acts as a α7 antagonist. A series of novel piperidine-spirooxadiazole derivatives were subsequently synthesized and evaluated using two-electrode voltage clamp (TEVC) assay in Xenopus oocytes. Lead compounds from two series inhibited α7 with their IC50 values ranging from 3.3μM to 13.7μM. Compound 3-(4-Bromophenyl)-8-methyl-1-oxa-2,4,8-triazaspiro[4.5]dec-2-ene exhibited α7 selectivity over other α4β2 and α3β4 nAChR subtypes. The anal. of structure-activity relationship (SAR) provides valuable insights for further development of selective α7 nAChR antagonists.

European Journal of Medicinal Chemistry published new progress about Cyclization. 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

Rocker, Johannes published the artcileAlternatives to Iridium: A Polyaza[7]helicene as a Strongly Reductive Visible Light Photoredox Catalyst, Name: Picolinonitrile, the main research area is poly azahelicene photo redox catalyst.

The use of a readily accessible polyazahelicene as a strongly reducing metal-free alternative to the commonly used precious metal based photo redox catalysts is demonstrated. An improved two-step synthesis of the catalyst is described, and its photophys. properties with respect to its use as a photo redox catalyst are evaluated. Its activity under visible light irradiation is proven by application in two double radical light-driven multi-component reactions. The azahelicene gave comparable results to an iridium-based catalyst originally used for the same transformations.

ACS Organic & Inorganic Au published new progress about Absorption. 100-70-9 belongs to class nitriles-buliding-blocks, name is Picolinonitrile, and the molecular formula is C6H4N2, Name: Picolinonitrile.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

O’Neill, Matthew F. published the artcileSustainable Synthesis of Dimethyl- and Diethyl Carbonate from CO2 in Batch and Continuous Flow-Lessons from Thermodynamics and the Importance of Catalyst Stability, SDS of cas: 100-70-9, the main research area is sustainable dimethyl diethyl carbonate CO2 batch lesson thermodn catalyst.

Equilibrium conversions for the direct condensation of MeOH and EtOH with CO2 to give dimethyl- and di-Et carbonate, resp., have been calculated over a range of exptl. relevant conditions. The validity of these calculations has been verified in both batch and continuous flow experiments over a heterogeneous CeO2 catalyst. Operating under optimized conditions of 140°C and 200 bar CO2, record productivities of 235 mmol/L·h DMC and 241 mmol/L·h DEC have been achieved using neat alc. dissolved in a continuous flow of supercritical CO2. Using our thermodn. model, we show that to achieve maximum product yield, both dialkyl carbonates and water should be continuously removed from the reactor instead of the conventionally used strategy of removing water alone, which is much less efficient. Catalyst stability rather than activity emerges as the prime limiting factor and should thus become the focus of future catalyst development.

ACS Sustainable Chemistry & Engineering published new progress about Drying agents. 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

Sun, Kai-Jin published the artcileSynthesis, characterization and crystal structure of 2-pyridinecarboxamide, Recommanded Product: Picolinonitrile, the main research area is pyridinecarboxamide preparation crystal mol structure.

The 2-pyridinecarboxamide was synthesized from 2-picoline through two-steps reaction. Initially, 2-picoline was converted into 2-cyanopyridine by ammoxidation in a stainless-steel fixed-bed reactor at 370°C with V2O5 loaded on TiO2 as catalyst. The 2-cyanopyridine was transformed into 2-pyridinecarboxamide through oxidation hydrolysis in basic solution using MnO2 as oxidant at 70°C. The crystal structure of 2-pyridinecarboxamide was investigated using X-ray diffraction and SHELX 2018/3 (sh) software and the result indicated that 2-pyridinecarboxamide crystallized in the monoclinic system, space group P21/n with a = 5.207(2), b = 7.097(3), c = 16.243(6) Å, V = 595.7 (4) Å3; Z = 4.

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

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Khan, Jallat published the artcileInsight into the phytochemical composition, biological activities and docking studies of Moringa oleifera Lam. to authenticate its use in biopharmaceutical industries, SDS of cas: 100-70-9, the main research area is Moringa extract phytochem composition biochem activity biopharmaceutical industry.

Moringa oleifera Lam. is a fast-growing deciduous tree native to the subcontinent with a wide array of uses. It is used as food plant by human and animals. Since it contains beneficial higher calcium, vitamin A, vitamin C, protein, potassium and iron contents, it is also used to treat malnutrition in children. The present study is conducted for comprehensive phytochem. profiling via total bioactive contents and ultra-high performance liquid chromatog. (UHPLC-MS) analyses, and biol. profiling by determining the antioxidant potential via DPPH (2,2-diphenyl-1-picrylhydrazyl), ABTS (2,2-azino-bis 3-ethylbenzothiazoline-6-sulfonic acid), FRAP (ferric reducing antioxidant power), CUPRAC (cupric reducing antioxidant power), phosphomolybdenum and metal chelation assays. In addition, α-amylase, α-glucosidase, acetylcholinesterase (AChE), butyrylcholinesterase (BChE) and tyrosinase inhibition assays were also performed. Multivariate statistical anal. was used to investigate the relationship between biol. activities and total bioactive content of the extracts Chem. profiling showed that total phenolic contents are present in highest concentrations in Et acetate extracts of the aerial parts and seed. Further total bioactive contents were correlated with their optimum anti-oxidant capacities for ABTS, FRAP and CUPRAC. Altogether 67 phytochems. were identified from aerial parts of the plant and its seed with major classes as phenolics, flavonoids, sesquiterpenoids and alkaloids. The Et acetate extract of seed showed good inhibition of AChE (2.77 mg GALAE/g extract) and BChE (8.05 mg GALAE/g extract) followed by the inhibition potential of water extract as 8.34 mg GALAE/g extract The Et acetate extract also showed most significant (61.93 mg-KAE/g) tyrosinase inhibitory activity. The hexane extract of seed showed good inhibition of α-glucosidase (6.32 mmol ACAE/g extract) and α-amylase (0.47 mmol ACAE/g extract). In silico docking studies were performed, where two herbimycin and prekinamycin showed good binding affinity with all the enzymes. It can be concluded that the presence of complex phytochems. with multi-functional potential distinguishes Moringa oleifera Lam. as a promising source of health-promoting component and recommended its use in biopharmaceutical industries.

Industrial Crops and Products published new progress about Antioxidants. 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

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

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

Musyoka, Thommas published the artcileSouth African abietane diterpenoids and their analogs as potential antimalarials: novel insights from hybrid computational approaches, SDS of cas: 100-70-9, the main research area is Plasmodium abietane diterpenoid antimalarial agent computational method; binding free energy; docking; dynamic residue interaction network; falcipains; molecular dynamics simulation.

Here, we utilize in silico approaches to screen 628 compounds from the South African natural sources to identify potential hits that can selectively inhibit the plasmodial proteases. Using docking studies, seven abietane diterpenoids, binding strongly to the plasmodial proteases, and three addnl. analogs from PubChem were identified. Important residues involved in ligand stabilization were identified for all potential hits through binding pose anal. and their energetic contribution determined by binding free energy calculations The identified compounds present important scaffolds that could be further developed as plasmodial protease inhibitors. Previous laboratory assays showed the effect of the seven diterpenoids as antimalarials. Here, for the first time, we demonstrate that their possible mechanism of action could be by interacting with falcipains and their plasmodial homologs. Dynamic residue network (DRN) anal. on the plasmodial proteases identified functionally important residues, including a region with high betweenness centrality, which had previously been proposed as a potential allosteric site in FP-2.

Molecules published new progress about Antimalarials. 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

Sanchez-Parra, Elisabet published the artcileAre cyanotoxins the only toxic compound potentially present in microalgae supplements? Results from a study of ecological and non-ecological products, Formula: C6H4N2, the main research area is cyanotoxin microalgae toxic compound supplement ecol product; anatoxins; bacteria; cyanotoxins; fungi; heavy metals; microalgae supplements; microcystins.

Food supplements with microalgae are becoming increasingly abundant and can be easily found anywhere. The most popular products are based on cyanophytes, such as Aphanizomenon flos-aquae, Arthrospira platensis and Limnospira maxima, or on chlorophytes, such as Chlorella or Haematoccus. Although they are all advertised as being very beneficial for health, these products might be harmful because they may contain cyanotoxins and other contaminants, and no information on production methods or strain origins is usually provided. While legislation on the presence of microcystins in waters for different uses is clear, toxicol. analyses are not compulsory for food supplements, nor for analyzing anatoxins. Given the potential risk of eating contaminated food, cyanotoxins, heavy metals and the presence of other contaminant organisms were analyzed in 10 microalgae food supplements. Microcystin-LR and anatoxin-a were detected in three analyzed products, and in both cyanophyte- and chlorophyte-based products. The light microscope study revealed the presence of different potentially harmful microbial contaminants. The ICP (OES) analyses detected high concentrations of some heavy metals, especially Pb. The results emphasize the need to promote the better control of food products containing microalgae, and to develop standard methodologies to analyze cyanotoxins and potential toxic compounds to protect consumer health.

Toxins published new progress about Aphanizomenon. 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