Month: November 2022

Shankaraiah, P. published the artcileSynthesis and Cytotoxicity of Quinazolin-4(3H)-one Based Peptides, Category: amides-buliding-blocks, the main research area is isocyanide benzaldehyde benzoic acid Ugi multicomponent reaction; quinazolinone preparation antitumor.

A series of quinazolin-4(3H)-one derivatives was synthesized in high yields using the multicomponent Ugi reaction and characterized by IR, NMR and mass spectral data. The products has been tested for their cytotoxic activity against HeLa cells. Two tested compounds had shown potent activity compared to standard drug Doxorubicin. The in silico docking studies of the compounds against quinone reductase-2 (4ZVM) enzyme had also supported their activity.

Russian Journal of General Chemistry published new progress about Antitumor agents. 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Category: amides-buliding-blocks.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Gao, Feng published the artcileDesign, synthesis, antitumor activities and biological studies of novel diaryl substituted fused heterocycles as dual ligands targeting tubulin and katanin, Formula: C2H5NO, the main research area is imidazopyridine derivative preparation antitumor activity tubulin katanin; Antitumor; Imidazo[4,5-c]pyridin-2-one; Katanin; Tubulin polymerization.

Microtubule is one of the important targets for cancer treatment. A novel class of diaryl substituted imidazo[4,5-c]pyridin-2-ones and imidazo[4,5-c]pyridines were designed based on combination principles by merging the structures of β-lactams and purine-type compounds known as tubulin polymerization inhibitor and katanin activity up-regulator, resp. Their antitumor activities were evaluated in vitro and the mechanism was elucidated, leading to the identification of 1,6-diaryl-1H-imidazo[4,5-c]pyridin-2(3H)-one I as the first bifunctional agent that can target both tubulin and katanin simultaneously. The in vivo assays verified that compound I significantly inhibited xenograft tumor growth with good pharmacokinetic characteristics, demonstrating a promising potential for further development into anti-tumor drug candidates with a unique mechanism of dual-targeting microtubule.

European Journal of Medicinal Chemistry published new progress about Antitumor agents. 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Formula: C2H5NO.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Tong, Wei published the artcilePalladium-Metalated Porous Organic Polymers as Recyclable Catalysts for the Chemoselective Synthesis of Thiazoles from Thiobenzamides and Isonitriles, Application of 4-Butylthiobenzamide, the main research area is thiobenzamide isonitrile polymer supported palladium catalyst cascade; thiazole derivative chemoselective preparation; isonitrile thiobenzamide polymer supported palladium catalyst cascade cyclization; imidazothiazole chemoselective preparation anticancer activity.

Two types of thiazole derivatives are synthesized through a multistep cascade sequence with Pd-metalated phosphorus-doped porous organic polymers (POPs) as heterogeneous catalysts. The POPs could be used as both ligands and catalyst supports. No obvious aggregation and loss of any catalytic activity of the catalysts were observed after 10 runs of the reaction. More importantly, imidazo[4,5-d]thiazoles, which are a new class of thiazole derivatives, could be obtained through K2CO3-promoted intramol. cyclization of the synthesized polysubstituted thiazoles. Furthermore, the in vitro anticancer activity of these new compounds were tested with MTT assay, and compound I exhibited good antitumor activity toward T-24 and A549 cells with IC50 values of 10.3 ± 0.8 and 11.8 ± 0.5 μM, resp. In addition, the action mechanism of compound I on tumor cells was determined

Organic Letters published new progress about Antitumor agents. 1208077-46-6 belongs to class amides-buliding-blocks, name is 4-Butylthiobenzamide, and the molecular formula is C11H15NS, Application of 4-Butylthiobenzamide.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Orlov, Alexey A. published the artcileChemoinformatics-Driven Design of New Physical Solvents for Selective CO2 Absorption, Application In Synthesis of 123-39-7, the main research area is chemoinformatic driven design phys solvent CO2 absorption; carbon dioxide; carbon monoxide; chemoinformatics; gas solubility; hydrogen; industrial gases; machine learning; methane; nitrogen.

The removal of CO2 from gases is an important industrial process in the transition to a low-carbon economy. The use of selective phys. (co-)solvents is especially perspective in cases when the amount of CO2 is large as it enables one to lower the energy requirements for solvent regeneration. However, only a few phys. solvents have found industrial application and the design of new ones can pave the way to more efficient gas treatment techniques. Exptl. screening of gas solubility is a labor-intensive process, and solubility modeling is a viable strategy to reduce the number of solvents subject to exptl. measurements. In this paper, a chemoinformatics-based modeling workflow was applied to build a predictive model for the solubility of CO2 and four other industrially important gases (CO, CH4, H2, and N2). A dataset containing solubilities of gases in 280 solvents was collected from literature sources and supplemented with the new data for six solvents measured in the present study. A modeling workflow based on the usage of several state-of-the-art machine learning algorithms was applied to establish quant. structure-solubility relationships. The best models were used to perform virtual screening of the industrially produced chems. It enabled the identification of compounds with high predicted CO2 solubility and selectivity toward other gases. The prediction for one of the compounds, 4-methylmorpholine, was confirmed exptl.

Environmental Science & Technology published new progress about Air purification. 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Application In Synthesis of 123-39-7.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Smirnov, Valeriy I. published the artcileThermochemical investigation of glycyl-L-alanine dissolution in aqueous solution of some acetamides and formamides at T = 298.15 K (Similarities and differences), Recommanded Product: N-Methylformamide, the main research area is acetamide formamide glycyl alanine dissolution.

The paper presents data on the glycyl-L-alanine dissolution enthalpies in aqueous solutions of formamide (FA), N-methyl-formamide (MFA), N,N-dimethylformamide (DMF), acetamide (AM), N-methyl-acetamide (NMA), and N,N-dimethylacetamide (DMA) at an organic co-solvent concentration x2 = 0 ÷ 0.25 – mole fraction and T = 298.15 K, obtained by calorimetry. The standard values of dissolution enthalpies (ΔsolHo), transfer enthalpies (ΔtrHo), and enthalpic coefficients of pairwise interaction (hxy) were calculated from these data. The dependences of the enthalpic characteristics of glycyl-L-alanine dissolution on the mixture composition and the interaction energy between the mixture components have been established. A comparative anal. of the values of the enthalpic coefficients of pairwise interactions of glycyl-L-alanine, glycyl-glycine, and glycyl-L-tyrosine in similarly mixed solvents has been carried out. A quant. assessment of the enthalpy contributions of the side-chains of glycyl-L-alanine and glycyl-L-tyrosine to the energetics of interaction with amide mols. in an aqueous solution is given.

Journal of Chemical Thermodynamics published new progress about Solution enthalpy. 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Recommanded Product: N-Methylformamide.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Kolaskar, A. S. published the artcileNonplanar peptide unit. III. Quantum chemical calculations for related compounds and experimental x-ray diffraction data, Product Details of C2H3F2NO, the main research area is non planar distortion amide; MO peptide distortion; x ray peptide; conformation peptide.

The nonplanar distortions of the amide group in HCONH2, MeCONH2, MeCONHMe, and MeCONHEt were examined using CNDO/2 and INDO (CNDO = complete neglect of differential overlap, INDO = intermediate neglect of differential overlap) methods. The predictions from these methods are compared with the results obtained from x-ray and neutron diffraction studies on crystals of small open peptides, cyclic peptides, and amides. It is shown that the INDO results are in good agreement with observation, and that the dihedral angles θN and Δω are correlated by the relation ON = -2Δω, while θc is small and uncorrelated with Δω.

Biopolymers published new progress about Molecular orbital. 359-38-6 belongs to class amides-buliding-blocks, name is 2,2-Difluoroacetamide, and the molecular formula is C2H3F2NO, Product Details of C2H3F2NO.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Ladduwahetty, Tammy published the artcileIdentification of a Potent, Selective, and Brain-Penetrant Rho Kinase Inhibitor and its Activity in a Mouse Model of Huntington’s Disease, Application of (S)-2-Methylpropane-2-sulfinamide, the main research area is piperazine analog preparation Rho kinase inhibitor SAR docking pharmacokinetics.

The Rho kinase (ROCK) pathway is implicated in the pathogenesis of several conditions, including neurol. diseases. In Huntington’s disease (HD), ROCK is implicated in mutant huntingtin (HTT) aggregation and neurotoxicity, and members of the ROCK pathway are increased in HD mouse models and patients. To validate this mode of action as a potential treatment for HD, a potent, selective, central nervous system (CNS)-penetrant ROCK inhibitor was sought. Identifying a compound that could be dosed orally in mice with selectivity against other AGC kinases, including protein kinase G (PKG), whose inhibition could potentially activate the ROCK pathway, was paramount for the program. The optimization of published ligands to identify a novel series of ROCK inhibitors based on a piperazine core was demonstrated. Morphing of the early series developed inhouse by scaffold hopping enabled the identification of a compound exhibiting high potency and desired selectivity and demonstrating a robust pharmacodynamic (PD) effect by the inhibition of ROCK-mediated substrate (MYPT1) phosphorylation after oral dosing.

Journal of Medicinal Chemistry published new progress about Molecular docking. 343338-28-3 belongs to class amides-buliding-blocks, name is (S)-2-Methylpropane-2-sulfinamide, and the molecular formula is C4H11NOS, Application of (S)-2-Methylpropane-2-sulfinamide.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Kamysbayev, Vladislav published the artcileCovalent surface modifications and superconductivity of two-dimensional metal carbide MXenes, Recommanded Product: N-Methylformamide, the main research area is titanium carbide MXene surface termination electronic property superconductivity.

Versatile chem. transformations of surface functional groups in two-dimensional transition-metal carbides (MXenes) open up a previously unexplored design space for this broad class of functional materials. We introduce a general strategy to install and remove surface groups by performing substitution and elimination reactions in molten inorganic salts. Successful synthesis of MXenes with oxygen, imido, sulfur, chlorine, selenium, bromine, and tellurium surface terminations, as well as bare MXenes (no surface termination), was demonstrated. These MXenes show distinctive structural and electronic properties. For example, the surface groups control interat. distances in the MXene lattice, and Tin+1Cn (n = 1, 2) MXenes terminated with telluride (Te2-) ligands show a giant (>18%) in-plane lattice expansion compared with the unstrained titanium carbide lattice. The surface groups also control superconductivity of niobium carbide MXenes.

Science (Washington, DC, United States) published new progress about Density of states. 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Recommanded Product: N-Methylformamide.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Wied, Jan K. published the artcileVolume Increments for Crystalline Borates, COA of Formula: C2H5NO, the main research area is preparation methylformamide borate volume increment unit cell coordination geometry.

A set of volume increments for ionic oxido-borates is developed for trigonal-planar and tetrahedral coordinated boron fragments in densely packed crystal structures. For this purpose, the cell volume of 277 alk.- and earth alk. borate structures was analyzed with respect to the volume of different anionic borate building units. The volume increments help to determine the number of formula equivalent in a cell which is especially useful for the structure solution process starting from powder diffraction data. This was demonstrated on a new methylammonium borate, [H3CNH3]B5O6(OH)4·CH3NHCOH which could be solved from powder x-ray diffraction data. The compound crystallizes in the monoclinic space group P1 21/c 1 with a = 7.3040(1) S, b = 11.6377(1) S, c 17.1065(3) S, β 107.2167(9)° and Z = 4. The structure model is supported as well by 1H, 11B, 13C and 15N solid-state NMR and quantum chem. calculations

European Journal of Inorganic Chemistry published new progress about Crystal structure. 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, COA of Formula: C2H5NO.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Hughes, D. O. published the artcileCrystal and molecular structure of difluoroacetamide, Safety of 2,2-Difluoroacetamide, the main research area is structure difluoroacetamide; fluoroacetamide structure; acetamide fluoro structure.

The structure of difluoroacetamide was determined from 3-dimensional counter-measured data. Libration corrections were applied to the full-matrix least-squares refined parameters. The principal interat. distances are C-C 1.543 (7), C-F 1.361 (9), and 1.364 (9), C-N 1.334 (8), and C-O 1.247 (8) Å.

Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry published new progress about Crystal structure. 359-38-6 belongs to class amides-buliding-blocks, name is 2,2-Difluoroacetamide, and the molecular formula is C2H3F2NO, Safety of 2,2-Difluoroacetamide.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics