Tag: M.W=100-150

Xue, Wenjie published the artcileN-thiadiazole-4-hydroxy-2-quinolone-3-carboxamides bearing heteroaromatic rings as novel antibacterial agents: Design, synthesis, biological evaluation and target identification, Computed Properties of 100-70-9, the main research area is thiadiazole hydroxy quinolone carboxamide preparation antibacterial docking pharmacokinetic antitumor; Antibacterial agent; Antibiotic resistance; DNA gyrase B; MRSA; Molecular docking.

In this study, N-thiadiazole-4-hydroxy-2-quinolone-3-carboxamide derivatives I (R1 = Et, cyclopentyl, 3-fluorophenyl, 1,3-thiazol-4-yl, etc.; R2 = Me, Et, n-Pr) were designed and synthesized and evaluated for their antibacterial activity against S. aureus ATCC29213, which led to the identification of ten potent antibacterial agents with min. inhibitory concentration (MIC) values below 1μg/mL. Next, bacterial growth inhibition assays against a panel of drug-resistant clin. isolates, including methicillin-resistant S. aureus, and cytotoxicity assays with HepG2 and HUVEC cells were performed. One of the tested compounds named I [R1 = 1,3-thiazol-2-yl; R2 = Et] (A) showed 2 to 128-times improvement compared with vancomycin in term of antibacterial potency against the tested strains (MICs: 0.25-1μg/mL vs. 1-64μg/mL) and an optimal selective toxicity (HepG2/MRSA, 110.6 to 221.2; HUVEC/MRSA, 77.6-155.2). Further, comprehensive evaluation indicated that (A) did not induce resistance development of MRSA over 20 passages, and it has been confirmed as a bactericidal, metabolically stable, orally active antibacterial agent. More importantly, the S. aureus DNA gyrase B as its potential target is identified and a potential binding mode by mol. docking is proposed. Taken together, the present work reports the most potent derivative of this chem. series (A) and uncovers its potential target, which lays a solid foundation for further lead optimization facilitated by the structure-based drug design technique.

European Journal of Medicinal Chemistry published new progress about Antibacterial agents. 100-70-9 belongs to class nitriles-buliding-blocks, name is Picolinonitrile, and the molecular formula is C6H4N2, Computed Properties of 100-70-9.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Zheng, Bing-De published the artcileA non-aggregated zinc(II) phthalocyanine with hexadeca cations for antitumor and antibacterial photodynamic therapies, Application of Phthalonitrile, the main research area is nonaggregated zinc phthalocyanine hexadeca cation antitumor antibacterial photodynamic therapy; Antibacterial; Anticancer; Cationic zinc(II) phthalocyanine; Non-aggregation; Photodynamic therapy.

With a view to developing highly efficient photosensitizers for both antitumor and antimicrobial photodynamic therapies, herein, we reported a super cationic zinc(II) phthalocyanine (Pc4), which was prepared through the quaternization of the N, N-dimethyl-3-aminophenoxyl-hexadeca-substituted precursor Pc3. Meanwhile, two disubstituted analogs (Pc1 and Pc2) were also prepared as controls. The cationic Pc2 and Pc4 had higher photoactivities including fluorescence and singlet oxygen than the neutral counterparts Pc1 and Pc3, probably because of the inhibition of intramol. charge transfer (ICT) effect of the amino groups. With the bulky steric effect and high hydrophilicity, Pc4 presented non-aggregated behavior in aqueous solutions Therefore, it exhibited the highest in vitro photodynamic activity toward HepG2 cancer cells with an IC50 value as low as 0.04 μM. Furthermore, Pc4 showed a highly efficient in vivo PDT effect on H22 tumor-bearing mice with 98.7% tumor growth inhibition. In addition, Pc4 also exhibited an excellent in vitro and in vivo photodynamic inactivation against S. aureus. The results indicate that the non-aggregated hexadeca-cationic Pc4 could serve as a promising photosensitizer for both antitumor and antimicrobial photodynamic therapies.

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

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

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

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

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

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

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

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

Zhou, Tao published the artcileStudy on pyrolysis behaviors of L-tyrosine-based phthalonitrile resin, Synthetic Route of 91-15-6, the main research area is preparation tyrosine based phthalonitrile resin pyrolysis behavior property.

The pyrolysis behaviors of L-tyrosine-based phthalonitrile(TPN) resin were investigated by thermogravimetric-Fourier transform IR spectrometry-mass spectrometry and pyrolysis-gas chromatog./mass spectrometry. The small mols. produced during pyrolysis process of TPN resin were tracked in real time by TG-FTIR-MS. The larger mols. (m/z > 40) from fast pyrolysis at 900°C of the TPN resin using Py-GC/MS were identified. From TG-FTIR-MS and Py-GC/MS results, the production pathways of pyrolysis products such as CO2, CO, NH3, benzonitrile and phenol were analyzed. The possible pyrolysis mechanism of TPN resin under non-oxidizing gaseous environment was proposed. The results of this study provide the useful information for designing the mol. structure of L-tyrosine-based polymers which possessing high thermal stability.

Polymer Testing published new progress about Complex modulus, tan δ. 91-15-6 belongs to class nitriles-buliding-blocks, name is Phthalonitrile, and the molecular formula is C8H4N2, Synthetic Route of 91-15-6.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts