Month: December 2022

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

Malik, Nadeem A. published the artcileTurbulent particle pair diffusion: Numerical simulations, Quality Control of 100-70-9, the main research area is turbulent particle pair diffusion coefficient Kolmogorov turbulence numerical simulation.

A theory for turbulent particle pair diffusion in the inertial subrange [Malik NA, PLoS ONE 13(10):e0202940 (2018)] is investigated numerically using a Lagrangian diffusion model, Kinematic Simulations [Kraichnan RH, Phys. Fluids 13:22 (1970); Malik NA, PLoS ONE 12(12):e0189917 (2017)]. All predictions of the theory are observed in flow fields with generalised energy spectra of the type, E(k) ∼ k-p. Most importantly, two non-Richardson regimes are observed: for short inertial subrange of size 102 the simulations yield quasi-local regimes for the pair diffusion coefficient, K(l)∼σl(1+p)/2; and for asymptotically infinite inertial subrange the simulations yield non-local regimes K(l)∼σlγ, with γ intermediate between the purely local scaling γnl = (1 + p)/2 and the purely non-local scaling γnl = 2. For intermittent turbulence spectra, E(k) ∼ k-1.72, the simulations yield K∼σl1.556, in agreement with the revised 1926 dataset K∼σl1.564 [Richardson LF, Proc.Roy.Soc.Lond.A 100:709 (1926); Malik NA, PLoS ONE 13(10):e0202940 (2018)]. These results lend support to the phys. picture proposed in the new theory that turbulent diffusion in the inertial subrange is governed by both local and non-local diffusion transport processes.

PLoS One published new progress about Reynolds number. 100-70-9 belongs to class nitriles-buliding-blocks, name is Picolinonitrile, and the molecular formula is C6H4N2, Quality Control of 100-70-9.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Darwish, Wael M. published the artcileTargeted photoimmunotherapy based on photosensitizer-antibody conjugates for multiple myeloma treatment, HPLC of Formula: 91-15-6, the main research area is multiple myeloma treatment photosensitizer antibody photoimmunotherapy; Antibody; Myeloma; Photoimmunotherapy; Phthalocyanine polymers; Radioimmunotherapy.

Despite the high in vitro efficacy of photodynamic therapeutics, lack of tumor targeting significantly reduces their in vivo efficacy and thus limits their clin. use. Photoimmunotherapy (PIT) is a new synthetic strategy to target and treat cancer by photodynamic therapy (PDT). In this study, we describe design and synthesis of a third-generation photosensitizer comprising a PEGylated-phthalocyanine star-polymer photosensitizer that covalently bound to a myeloma tumor-selective antibody (MAb) via the carbodiimide chem. The free photosensitizer demonstrated a min. dark toxicity when tested in mammalian myeloma cell line (SP2/OR); and a moderate phototoxicity after irradiation with non thermal laser red light as a result of light-induced production of cytotoxic singlet oxygen species. Covalent attachment of the photosensitizer (Pc) to the MAb resulted in a significantly enhanced phototoxicity. This is mainly ascribed to the fact that internalization enhances phototoxicity of Pc-MAb bioconjugates. The radioactivated photoimmuno-conjugates 131I(PcMAb) demonstrated the highest phototoxicity to myeloma cells. The suggested bioconjugates are promising candidates as multiple therapeutic models for in vivo treatment of myeloma.

Journal of Photochemistry and Photobiology, B: Biology published new progress about Laser radiation. 91-15-6 belongs to class nitriles-buliding-blocks, name is Phthalonitrile, and the molecular formula is C8H4N2, HPLC of Formula: 91-15-6.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Borjian Boroujeni, Mahmoud published the artcileA Novel and Green In Situ Strategy for the Synthesis of Metallophthalocyanines on Chitosan and Investigation Their Catalytic Activity in the CO2 Fixation, Computed Properties of 91-15-6, the main research area is green metallophthalocyanine chitosan catalyst cyclic carbonate.

Abstract: In this work, a novel and green strategy for the in situ synthesis of metallophthalocyanines on chitosan (MPcs@CS; M=Cu, Ni, Co) in deep eutectic solvents (DESs) at 120 °C has been reported. The chem. and structural properties of the MPcs@CS were determined by SEM (SEM), energy-dispersive X-ray(EDS), X-ray powder diffraction (XRD), Fourier transformation IR spectroscopy(FT-IR), thermogravimetric anal.(TGA) and flame at. absorption spectroscopies(FAAS). This new MPcs@CS is a highly efficient, active and reusable catalyst for the synthesis of cyclic carbonates from promoting the reaction of CO2 with epoxides under mild reaction conditions (at 80 °C and 1 atm CO2 pressure) with good to excellent yield of products. The order of catalytic activity is CuPc@CS, CoPc@CS and NiPc@CS from the conversion, temperature and time point of view, resp.

Catalysis Letters published new progress about Green chemistry. 91-15-6 belongs to class nitriles-buliding-blocks, name is Phthalonitrile, and the molecular formula is C8H4N2, Computed Properties of 91-15-6.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts