Author: Jessica.F

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

Dias, David M. published the artcileIs NMR Fragment Screening Fine-Tuned to Assess Druggability of Protein-Protein Interactions?, Safety of 4-(5-Oxazolyl)benzonitrile, the main research area is NMR screening protein; NMR fragment screening; binding affinity; druggability; protein−protein interactions.

Modulation of protein-protein interactions (PPIs) with small mols. has been hampered by a lack of lucid methods capable of reliably identifying high-quality hits. In fragment screening, the low ligand efficiencies associated with PPI target sites pose significant challenges to fragment binding detection. Here, we investigate the requirements for ligand-based NMR techniques to detect rule-of-three compliant fragments that form part of known high-affinity inhibitors of the PPI between the von Hippel-Lindau protein and the alpha subunit of hypoxia-inducible factor 1 (pVHL:HIF-1α). Careful triaging allowed rescuing weak but specific binding of fragments that would otherwise escape detection at this PPI. Further structural information provided by saturation transfer difference (STD) group epitope mapping, protein-based NMR, competitive isothermal titration calorimetry (ITC), and X-ray crystallog. confirmed the binding mode of the rescued fragments. Our findings have important implications for PPI druggability assessment by fragment screening as they reveal an accessible threshold for fragment detection and validation.

ACS Medicinal Chemistry Letters published new progress about Drug screening. 87150-13-8 belongs to class nitriles-buliding-blocks, name is 4-(5-Oxazolyl)benzonitrile, and the molecular formula is C10H6N2O, Safety of 4-(5-Oxazolyl)benzonitrile.

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

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

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

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

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

Li, Tingting published the artcileAsymmetric synthesis of α-(1-oxoisoindolin-3-yl)glycine: synthetic and mechanistic challenges, Application of 2-Formyl-4,5-dimethoxybenzonitrile, the main research area is oxoisoindolinyl glycine enantioselective synthesis crystal structure glycine Schiff base; cyanobenzaldehyde aldol reaction cyclization rearrangement conjugate addition.

We report herein that the NaOMe-catalyzed reactions between the chiral glycine Schiff base (S)-4 with 2-cyanobenzaldehyde provide for a convenient preparation of the novel α-(1-oxoisoindolin-3-yl)glycine of high pharmaceutical potential. The reactions involve at least eight synthetic steps and can mechanistically be realized only with application of Ni(II) complexes described in this study.

Chemical Communications (Cambridge, United Kingdom) published new progress about Aldol addition. 1013112-48-5 belongs to class nitriles-buliding-blocks, name is 2-Formyl-4,5-dimethoxybenzonitrile, and the molecular formula is C10H9NO3, Application of 2-Formyl-4,5-dimethoxybenzonitrile.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Matlou, Gauta Gold published the artcileEvaluation of the photosensitizing properties of zinc and indium tetra cinnamic acid phthalocyanines linked to magnetic nanoparticles on human breast adenocarcinoma cells, Recommanded Product: Phthalonitrile, the main research area is zinc indium cinnamic acid phthalocyanine magnetic nanoparticle; nanoparticle human breast adenocarcinoma cell photosensitizing property.

This work reports on the synthesis, photophysico-chem. properties and photodynamic therapy activity of novel zinc (1) and indium (2) tetra substituted cinnamic acid phthalocyanine (Pc) complexes linked to amino functionalized magnetic nanoparticles (AMNPs) through an amide bond. Asym. ZnPc complex (3) showed better triplet and singlet oxygen quantum yields as compared to its sym. analogs (1 and 2). The AMNPs (1-AMNPs and 2-AMNPs) linked conjugates depicted increased triplet quantum yields in comparison to their unlinked Pcs, while 3-AMNPs showed a decrease compared to 3. The complexes showed increased in-vitro photo-cytotoxic effect against MCF-7 cells with an increase in drug concentration At 80 μg/mL, 2 and 3, 2-AMNPs and 3-AMNPs with higher singlet oxygen quantum yields caused more cytotoxic effect on the cancer cells in the presence of light as compared to 1 and 1-AMNPs resp.

Journal of Luminescence published new progress about Adenocarcinoma. 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

Mao, Qing published the artcileDesign, synthesis and biological evaluation of 2-(4-alkoxy-3-cyano)phenyl-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid derivatives as novel xanthine oxidase inhibitors, Safety of 4-Hydroxyisophthalonitrile, the main research area is alkoxycyanophenyl oxodihydropyrimidine carboxylic acid preparation xanthine oxidase inhibitor SAR; acute toxicity docking hypouricemic alkoxycyanophenyl oxodihydropyrimidine carboxylic acid preparation; 1,6-Dihydropyrimidine-5-carboxylic acid; Biological evaluation; Synthesis; Xanthine oxidase inhibitor.

A series of 2-(4-alkoxy-3-cyano)phenyl-1,6-dihydropyrimidine-5-carboxylic acid derivatives I [R = O, NH; R1 = i-Pr, allyl, Bn, etc.; R2 = H, Me] was synthesized as novel xanthine oxidase (XO) inhibitors. These compounds exhibited remarkable in vitro XO inhibitory potency with IC50 values ranging from 0.0181 μM to 0.5677 μM. Specifically, compounds I [R = NH; R1 = (CH2)2CH(CH3)2, 2-methylallyl], with IC50 values of 0.0240 μM and 0.0181 μM, resp., emerged as the most potent XO inhibitors and their potencies were comparable to that of febuxostat. Structure-activity relationship anal. revealed that the Me group at 4-position of pyrimidine ring could damage the potency and the XO inhibitory potency was maintained when carbonyl group was changed to an imino group. Lineweaver-Burk plot anal. revealed that the representative compound I [R = NH; R1 = (CH2)2CH(CH3)2] acted as a mixed-type inhibitor. A potassium oxonate induced hyperuricemia model in rats was chosen to further confirm the hypouricemic effect of compound I [R = NH; R1 = (CH2)2CH(CH3)2] and the results showed that compound I [R = NH; R1 = (CH2)2CH(CH3)2] (5 mg/kg) was able to significantly lower the serum uric acid level. Furthermore, in acute oral toxicity study, no sign of toxicity was observed when the mice were administered with a single 2000 mg/kg oral dose of compound I [R = NH; R1 = (CH2)2CH(CH3)2]. These results suggested that compound I [R = NH; R1 = (CH2)2CH(CH3)2] was a potent and promising uric acid-lowing agent for the treatment of hyperuricemia.

European Journal of Medicinal Chemistry published new progress about Acute toxicity. 34133-58-9 belongs to class nitriles-buliding-blocks, name is 4-Hydroxyisophthalonitrile, and the molecular formula is C8H4N2O, Safety of 4-Hydroxyisophthalonitrile.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts