Month: November 2022

Gharagheizi, Farhad published the artcileA New Neural Network Group Contribution Method for Estimation of Upper Flash Point of Pure Chemicals, COA of Formula: C12H9N3O4, the publication is Industrial & Engineering Chemistry Research (2010), 49(24), 12685-12695, database is CAplus.

A new group contribution-based models is presented to predict the upper flash point temperature of pure compounds based on a large dataset (1294). This neural network model uses several occurrences of 122 chem. groups in a pure compound to predict its related upper flash point limit. The model squared correlation coefficient, average percent error, mean average error, and root-mean-square error over the main dataset (1294 pure compounds) were 0.99, 1.7%, 6, and 8.5, resp.

Industrial & Engineering Chemistry Research published new progress about 1821-27-8. 1821-27-8 belongs to catalysis-chemistry, auxiliary class Nitro Compound,Amine,Benzene, name is Bis(4-nitrophenyl)amine, and the molecular formula is C12H9N3O4, COA of Formula: C12H9N3O4.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Fancelli, Daniele published the artcileCinnamic Anilides as New Mitochondrial Permeability Transition Pore Inhibitors Endowed with Ischemia-Reperfusion Injury Protective Effect in Vivo, Safety of (E)-3-(3-Nitrophenyl)acrylic acid, the publication is Journal of Medicinal Chemistry (2014), 57(12), 5333-5347, database is CAplus and MEDLINE.

In this account, we report the development of a series of substituted cinnamic anilides that represents a novel class of mitochondrial permeability transition pore (mPTP) inhibitors. Initial class expansion led to the establishment of the basic structural requirements for activity and to the identification of derivatives with inhibitory potency higher than that of the standard inhibitor cyclosporine-A (CsA). These compounds can inhibit mPTP opening in response to several stimuli including calcium overload, oxidative stress, and thiol cross-linkers. The activity of the cinnamic anilide mPTP inhibitors turned out to be additive with that of CsA, suggesting for these inhibitors a mol. target different from cyclophylin-D. In vitro and in vivo data are presented for (E)-3-(4-fluoro-3-hydroxy-phenyl)-N-naphthalen-1-yl-acrylamide 22, one of the most interesting compounds in this series, able to attenuate opening of the mPTP and limit reperfusion injury in a rabbit model of acute myocardial infarction.

Journal of Medicinal Chemistry published new progress about 1772-76-5. 1772-76-5 belongs to catalysis-chemistry, auxiliary class Benzenes, name is (E)-3-(3-Nitrophenyl)acrylic acid, and the molecular formula is C9H7NO4, Safety of (E)-3-(3-Nitrophenyl)acrylic acid.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Peifer, Christian published the artcile3,4-Diaryl-isoxazoles and -imidazoles as Potent Dual Inhibitors of p38α Mitogen Activated Protein Kinase and Casein Kinase 1δ, Synthetic Route of 16909-09-4, the publication is Journal of Medicinal Chemistry (2009), 52(23), 7618-7630, database is CAplus and MEDLINE.

In this study, we report on the discovery of isoxazole 1 as a potent dual inhibitor of p38α (IC₅₀ = 0.45 μM) and CK1δ (IC₅₀ = 0.23 μM). Because only a few effective small mol. inhibitors of CK1 have been described so far, we aimed to develop this structural class toward specific agents. Mol. modeling studies comparing p38α/CK1δ suggested an optimization strategy leading to design, synthesis, biol. characterization, and SAR of highly potent compounds including 9 (IC₅₀ p38α = 0.006 μM; IC₅₀ CK1δ = 1.6 μM), 13 (IC₅₀ p38α = 2.52 μM; IC₅₀ CK1δ = 0.033 μM), 17 (IC₅₀ p38α = 0.019 μM; IC₅₀ CK1δ = 0.004 μM; IC₅₀ CK1ε = 0.073 μM), and 18 (CKP138) (IC₅₀ p38α = 0.041 μM; IC₅₀ CK1δ = 0.005 μM; IC₅₀ CK1ε = 0.447 μM) possessing differentiated specificity. Selected compounds were profiled over 76 kinases and evaluation of their cellular efficacy showed 18 (CKP138) to be a highly potent and dual-specific inhibitor of CK1δ and p38α.

Journal of Medicinal Chemistry published new progress about 16909-09-4. 16909-09-4 belongs to catalysis-chemistry, auxiliary class Alkenyl,Carboxylic acid,Benzene,Ether, name is (E)-3-(2,4-Dimethoxyphenyl)acrylic acid, and the molecular formula is C11H12O4, Synthetic Route of 16909-09-4.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Amesh, P. published the artcileSuccinic acid functionalized magnetic mesoporous silica for the magnetic assisted separation of uranium from aqueous solution, Quality Control of 13822-56-5, the publication is Journal of Radioanalytical and Nuclear Chemistry (2022), 331(6), 2719-2733, database is CAplus.

The magnetite embedded mesoporous silica was prepared and functionalized with succinic acid, (abbreviated as Fe-MCM-SUC) for targeted adsorption of uranium from aqueous solution The adsorbent Fe-MCM-SUC was characterized with various advanced spectroscopic and anal. techniques and its adsorption performance towards uranium was evaluated under different conditions of aqueous medium. An apparent uranium adsorption capacity of 430 mg·g^-1 was observed from pH â‰?6 solution The adsorbed uranium was recovered easily using dilute Na₂CO₃ solution and the recovered adsorbent was tested for uranium adsorption in multiple cycles for checking the feasibility of regeneration. The results showed that the adsorbent, Fe-MCM-SUC, is a potential candidate for the recovery of uranium from aqueous solution

Journal of Radioanalytical and Nuclear Chemistry published new progress about 13822-56-5. 13822-56-5 belongs to catalysis-chemistry, auxiliary class Organic Silicones, name is 3-(Trimethoxysilyl)propan-1-amine, and the molecular formula is C6H17NO3Si, Quality Control of 13822-56-5.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia