Month: November 2022

Fernandez, Maria-Carmen published the artcileDesign, synthesis and structure-activity-relationship of 1,5-tetrahydronaphthyridines as CETP inhibitors, Application of 3-Formyl-5-(trifluoromethyl)benzonitrile, the main research area is tetrahydronaphthyridine preparation CETP inhibitor structure activity relationship.

This Letter describes the discovery and SAR optimization of 1,5-tetrahydronaphthyridines, a new class of potent CETP inhibitors. The effort led to the identification of I and II with in vitro human plasma CETP inhibitory activity in the nanomolar range (IC50 = 23 and 22 nM, resp.). Both I and II exhibited robust HDL-c increase in hCETP/hApoA1 dual heterozygous mice model.

Bioorganic & Medicinal Chemistry Letters published new progress about Cardiovascular disease. 569370-39-4 belongs to class nitriles-buliding-blocks, name is 3-Formyl-5-(trifluoromethyl)benzonitrile, and the molecular formula is C9H4F3NO, Application of 3-Formyl-5-(trifluoromethyl)benzonitrile.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Cao, Shanshan published the artcileA mechanistic investigation into N-heterocyclic carbene (NHC) catalyzed umpolung of ketones and benzonitriles: is the cyano group better than the classical carbonyl group for the addition of NHC?, Quality Control of 1885-29-6, the main research area is ketone nitrile cyclocondensation reaction mechanism activation free energy.

D. functional theory (DFT) computations have been utilized to investigate the N-heterocyclic carbene (NHC) catalytic reaction mechanism when carbonyl and cyano compounds co-exist. The results suggested that both the carbonyl and cyano compounds can be activated by NHC, while the order of activation by the NHC depends on the substituents of the two compounds In the model reaction of NHC catalyzed cyclocondensation of cyclohexanone with 2-aminobenzonitrile, two key activation modes were explored, the new NHC activation carbon of the cyano-group (Mode II) is found to be perferred over the activation of carbonyl carbon (Mode I); this is remarkably at variance from the previous reports. More importantly, water mols. can improve the catalytic activity of NHC to some extent, especially in the Dimroth rearrangement process. The cooperative participation of the NHC and H2O catalyst is identified. Moreover, the strong quadruple hydrogen bonding interactions between water/NHC and substrates are proposed to be the origin of the high activity of NHC-H2O co-catalyzed Mode II. Addnl., these interactions stabilize the generated neg. charge on carbonyl oxygen and further strengthen the nucleophilicity of the -NH group in the NHC-H2O co-catalyzed key transition state structure, which is further confirmed by AIM and NCI analyses. This novel preferred umpolung of a cyano-group via NHC-H2O catalysis was proposed to be responsible for the exptl. observed high product yield.

Organic Chemistry Frontiers published new progress about Bader electron density. 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

Das, Dhiraj published the artcileWater-assisted ground state intra-molecular proton transfer in 2,5-dihydroxy-substituted azobenzenes: experimental and computational studies, Recommanded Product: 2-Aminobenzonitrile(Flakes or Chunks), the main research area is dihydroxy azobenzene tautomer oscillator strength intramol proton transfer.

Herein, the phenomenon of ground-state proton transfer in a series of 2,5-dihydroxy azobenzene derivatives was studied. The mechanism of proton transfer in a dimethylacetamide (DMA)-water mixture was investigated by UV-vis spectroscopy. Time-dependent d. functional theory (TD-DFT) calculations were performed to achieve further confirmations. The intramol. hydrogen bond between the hydrogen atom of the o-hydroxyl group and the azo-group was found to be reinforced during the hydrogen transfer process. The topol. properties of the intramol. interactions were determined by atoms in mols. (AIM) calculations using the AIM2000 package. It was observed that water mols. and substitutions at the ortho-position corresponding to the azo-group facilitated the occurrence of the proton transfer mechanism in the ground state. The effect of the substitutions and water mols. was investigated by the DFT calculations

CrystEngComm published new progress about Bader electron density. 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, Recommanded Product: 2-Aminobenzonitrile(Flakes or Chunks).

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Patil, Prashant published the artcileA new phthalimide based chemosensor for selective spectrophotometric detection of Cu(II) from aqueous medium, Application In Synthesis of 100-70-9, the main research area is phthalimide chemosensor spectrophotometric detection Copper ion; Chemosensor; Cu(2+); DFT; Phthalimide.

A new phthalimide based chemosensor 2-(Pyridin-2-yl-(pyridine-2-ylimino)methyl)isoindoline-1,3-dione (PP3) was synthesized and characterized by IR, LCMS and NMR spectroscopic methods. The metal ions sensing ability of PP3 was examined by naked-eye and UV-Vis absorption techniques. The colorless solution of PP3 turned to yellow upon addition of Cu2+ and a new absorption band appeared at 434 nm. The Job’s plot and HR-MS data confirms the formation of a new complex species between PP3 and Cu2+ in 1:1 binding stoichiometry. The sensor PP3 allowed the detection of Cu2+ down to 1.65 μM without any remarkable interference from the other tested metal cations.

Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy published new progress about Analytical test strips. 100-70-9 belongs to class nitriles-buliding-blocks, name is Picolinonitrile, and the molecular formula is C6H4N2, Application In Synthesis of 100-70-9.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Ribeiro, Viviane G. P. published the artcileNanomaterials based on Fe3O4 and phthalocyanines derived from cashew nut shell liquid, Quality Control of 91-15-6, the main research area is iron oxide phthalocyanine Anacardium shell liquid nanomaterial; cashew nut shell liquid (CNSL); nanomaterials; phthalocyanines; superparamagnetic.

In this work we report the synthesis of new hybrid nanomaterials in the core/shell/shell morphol., consisting of a magnetite core (Fe3O4) and two consecutive layers of oleic acid (OA) and phthalocyanine mols., the latter derived from cashew nut shell liquid (CNSL). The synthesis of Fe3O4 nanoparticle was performed via co-precipitation procedure, followed by the nanoparticle coating with OA by hydrothermal method. The phthalocyanines anchorage on the Fe3O4/OA core/shell nanomaterial was performed by facile and effective sonication method. The as obtained Fe3O4/OA/phthalocyanine hybrids were investigated by Fourier transform IR spectroscopy, X-ray diffraction, UV-visible spectroscopy, transmission electron microscopy (TEM), thermogravimetric anal. and magnetic measurements. TEM showed round-shaped nanomaterials with sizes in the range of 12-15 nm. Nanomaterials presented saturation magnetization (Ms) in the 1-16 emu/g and superparamagnetic behavior. Furthermore, it was observed that the thermal stability of the samples was directly affected by the insertion of different transition metals in the ring cavity of the phthalocyanine mol.

Molecules published new progress about Anacardium occidentale. 91-15-6 belongs to class nitriles-buliding-blocks, name is Phthalonitrile, and the molecular formula is C8H4N2, Quality Control of 91-15-6.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Wang, Xinying published the artcileDoxorubicin and Zinc phthalocyanine loaded pH-responsive FA-BSP-SA/TPGS micelles for synergistic chemo-photodynamic therapy against tumors, Product Details of C8H4N2, the main research area is zinc phthalocyanine folate Bletilla striata polysaccharide stearic acid micelle; micelle TPGS doxorubicin synergistic chemophotodynamic therapy tumor.

The present study was to evaluate the chemo-photodynamic synergistic antitumor effect of FA-BSP-SA/TPGS micelles loaded with doxorubicin (Dox) and Zinc phthalocyanine (ZnPc). Multiple evaluation parameters involving quality index (particle size, zeta potential, loading capacity, and encapsulation efficiency, etc), biocompatibility, in vitro drug release, and in vitro antitumor assays were performed to explore the optimal mass ratio in FA-BSP-SA/TPGS mixed micelles. The results showed that FA-BSP-SA/TPGS25 micelles were more ideal carriers. The synergistic antitumor effect of Dox and ZnPc was also investigated and proved to be better. Moreover, the current study revealed that TPGS, Dox, and ZnPc decreased mitochondrial membrane potential and increased ROS level in breast 4T1 cancer cells. Meanwhile, in vivo antitumor assay certified that Dox@FA-BSP-SA/TPGS25+ ZnPc@FA-BSP-SA/TPGS25 micelles showed the most superior antitumor effect. In conclusion, Dox@FA-BSP-SA/TPGS25+ZnPc@FA-BSP-SA/TPGS25 micelles are promising drug-loaded nanomaterials with synergistic chemo-photodynamic effects against cancer.

Journal of Drug Delivery Science and Technology published new progress about Agitation (mechanical). 91-15-6 belongs to class nitriles-buliding-blocks, name is Phthalonitrile, and the molecular formula is C8H4N2, Product Details of C8H4N2.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Li, Xu published the artcileCobalt Element Effect of Ternary Mesoporous Cerium Lanthanum Solid Solution for the Catalytic Conversion of Methanol and CO2 into Dimethyl Carbonate, Formula: C6H4N2, the main research area is cerium lanthanum methanol carbon dioxide dimethyl carbonate catalytic conversion; catalyst; cobalt; dimethyl carbonate; oxygen vacancy; solid solution.

A citric acid ligand assisted self-assembly method is used for the synthesis of ternary mesoporous cerium lanthanum solid solution doped with metal elements (Co, Zr, Mg). Their textural property was characterized by X-ray diffraction, transmission electron microscopy, N2 adsorption-desorption, XPS and TPD techniques, and so on. The results of catalytic testing for synthesis of di-Me carbonate (DMC) from CH3OH and CO2 indicated that the DMC yield reached 316 mmol/g on Ce-La-Co solid solution when the reaction temperature was 413 K and the reaction pressure was 8.0 MPa. It was found that Co had synergistic effect with La and Ce, doping of Co on the mesoporous Ce-La solid solution was helpful to increase the surface area of the catalyst, promote CO2 adsorption and activation, and improve the redox performance of solid solution catalyst. The conversion of Co2+ to Co3+ resulted in the continuous redox cycle between Ce4+ and Ce3+ , and the oxygen vacancy content of the catalyst was increased. Studies have shown that the catalytic performance of Ce-La-Co solid solution is pos. correlated with oxygen vacancy content. On this basis, the reaction mechanism of DMC synthesis from CO2 and CH3OH on the catalyst was speculated.

Molecules published new progress about Adsorption (isotherms). 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

Clive, Derrick L. J. published the artcileThe Naturally Occurring Ketene Acetal Benesudon: Total Synthesis and Assignment of Relative and Absolute Stereochemistry, Product Details of C6H7NO, the main research area is asym synthesis ketene acetal benesudon radical cyclization oxidative decarboxylation; mol structure absolute configuration benesudon.

The densely functionalized ketene acetal benesudon (I), which is a bioactive fungal metabolite, was synthesized from D-glucose by a route involving radical cyclization to form the five-membered ring, and oxidative decarboxylation to generate the key central double bond. The originally suggested stereochem. for the quaternary center C(5) must be revised, as both C(5) epimers were prepared and a comparison with an authentic sample was made. The absolute configuration of benesudon is 4S,5R,6S.

Journal of Organic Chemistry published new progress about Absolute configuration. 31518-13-5 belongs to class nitriles-buliding-blocks, name is 3,4-Dihydro-2H-pyran-6-carbonitrile, and the molecular formula is C6H7NO, Product Details of C6H7NO.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Chanmungkalakul, Supphachok published the artcileA Descriptor for Accurate Predictions of Host Molecules Enabling Ultralong Room-Temperature Phosphorescence in Guest Emitters, Recommanded Product: Phthalonitrile, the main research area is guest emitter host mol room temperature phosphorescence; Afterglow Emission; Charge-Transfer State; Excited States; Intersystem Crossing; Room-Temperature Phosphorescence.

Although doping can induce room-temperature phosphorescence (RTP) in heavy-atom free organic systems, it is often challenging to match the host and guest components to achieve efficient intersystem crossing for activating RTP. In this work, we developed a simple descriptor ΔE to predict host mols. for matching the guest RTP emitters, based on the intersystem crossing via higher excited states (ISCHES) mechanism. This descriptor successfully predicted five com. available host components to pair with naphthalimide (NA) and naphtho[2,3-c]furan-1,3-dione (2,3-NA) emitters with a high accuracy of 83%. The yielded pairs exhibited bright yellow and green RTP with the quantum efficiency up to 0.4 and lifetime up to 1.67 s, resp. Using these RTP pairs, we successfully achieved multi-layer message encryption. The ΔE descriptor could provide an efficient way for developing doping-induced RTP materials.

Angewandte Chemie, International Edition published new progress about Energy level excitation. 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

Zheng, Jianbin published the artcileConversion of Quinazoline Modulators from Inhibitors to Activators of β-Glucocerebrosidase, SDS of cas: 1885-29-6, the main research area is quinazoline derivatives beta glucocerebrosidase inhibitor activator Parkinsons disease dementia.

Gaucher’s disease is a lysosomal disease caused by mutations in the β-glucocerebrosidase gene (GBA1 and GCase) that have been also linked to increased risk of Parkinson’s disease (PD) and Diffuse Lewy body dementia. Prior studies have suggested that mutant GCase protein undergoes misfolding and degradation, and therefore, stabilization of the mutant protein represents an important therapeutic strategy in synucleinopathies. In this work, we present a structure-activity relationship (SAR) study of quinazoline compounds that serve as inhibitors of GCase. Unexpectedly, we found that N-methylation of these inhibitors transformed them into GCase activators. A systematic SAR study further revealed that replacement of the key oxygen atom in the linker of the quinazoline derivative also contributed to the activity switch. PD patient-derived fibroblasts and dopaminergic midbrain neurons were treated with a selected compound (9q) that partially stabilized GCase and improved its activity. These results highlight a novel strategy for therapeutic development of noninhibitory GCase modulators in PD and related synucleinopathies.

Journal of Medicinal Chemistry published new progress about Antiparkinsonian agents. 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, SDS of cas: 1885-29-6.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts