Category: 5294-61-1

Children learn through play, and they learn more than adults might expect. Science experiments are a great way to spark their curiosity, Computed Properties of C14H21N3O5294-61-1, Name is N-(2,6-Dimethylphenyl)-2-(piperazin-1-yl)acetamide, SMILES is O=C(NC1=C(C)C=CC=C1C)CN2CCNCC2, belongs to piperazines compound. In a article, author is Hayat, Faisal, introduce new discover of the category.

Antimony(III) dithiocarbamates: Crystal structures, supramolecular aggregations, DNA binding, antioxidant and antileishmanial activities

Herein, we report the synthesis and characterization of four piperazine based homoleptic antimony(III) dithiocarbamates, i.e. Sb[S2CN(CH2)(4)N(Bn)](3) (1), Sb[S2CN(CH2)(4)NCH-(Ph)(2)](3) (2), Sb[S2CN(CH2)(4)N(2-MeO-C6H4)] (3) (3) and Sb[S2CN(CH2)(4)N(C6H4-NO2)](3 center dot)CH2Cl2 (4), by means of elemental analysis and many spectroscopic techniques, like FT-IR, NMR (H-1 and C-13) and single crystal XRD. The XRD data revealed a distorted trigonal antiprismatic geometry around the central antimony atom for 2 and 3, with the trigonal space groups R-3 and R3c respectively, while a distorted pentagonal pyramidal geometry was found for 4, with the triclinic space group P-1. The trigonal antiprismatic complexes (2 and 3) feature fascinating 2-D supramolecular layers, extending into 3-D networks in a stacked fashion, while for the pentagonal pyramidal complex 4, the dimensionality is lowered to linear chains. Some of these complexes (1, 2 and 4) were further checked for their biological potential (DNA binding, using UV-Visible spectroscopy, antioxidant, cytotoxic and antileishmanial). They showed moderately stronger binding with the DNA base-pairs via the intercalative mode, as suggested by hypochromism in their electronic spectra. Interestingly, complex 2 was more active than the standard drug ascorbic acid for its antioxidant action, while complex 4 showed high activity in both the cytotoxic and antileishmanial assays. (C) 2020 Elsevier Ltd. All rights reserved.

Note that a catalyst decreases the activation energy for both the forward and the reverse reactions and hence accelerates both the forward and the reverse reactions. you can also check out more blogs about 5294-61-1. Computed Properties of C14H21N3O.

Reference:
Piperazine – Wikipedia,
,Piperazines – an overview | ScienceDirect Topics

One of the major reasons for studying chemical kinetics is to use measurements of the macroscopic properties of a system, such as the rate of change in the concentration of reactants or products with time. 5294-61-1, Name is N-(2,6-Dimethylphenyl)-2-(piperazin-1-yl)acetamide, formurla is C14H21N3O. In a document, author is Heydarifard, Mohammad, introducing its new discovery. Category: piperazines.

Numerical simulation of CO2 chemical absorption in a gas-liquid bubble column using the space-time CESE method

In this study, numerical simulation of the removal process of CO2 using aqueous solutions of piperazine (PZ) in a bubble column has been done. The main focus of this work is to investigate the applicability of the space-time conservation element and solution element (CESE) method for the numerical solution of the coupling of hydrodynamics, mass transfer and chemical reactions. The reactive absorption process has been investigated by means of experiments and numerical simulation. A two-dimensional computational fluid dynamics (CFD) model in the Eulerian framework has been used to describe the gas-liquid system. To obtain the numerical solution, the CESE method based on a uniform rectangular mesh has been implemented by developing a computer code. Experimental study and CFD simulations have been carried out at different conditions of CO2 partial pressure (20 and 36 kPa) and solution concentration (0.1, 0.3 and 0.5 M). The simulation results were in reasonable agreement of 5.226 % and 4.575 % with the experimental values for gas holdup and mass transfer flux, respectively. The comparisons prove that the CESE method can be considered as a proper numerical method for the simulation of complex multiphase flows due to its simplicity, accuracy and low computational costs.

If you are hungry for even more, make sure to check my other article about 5294-61-1, Category: piperazines.

Reference:
Piperazine – Wikipedia,
,Piperazines – an overview | ScienceDirect Topics

Let¡¯s face it, organic chemistry can seem difficult to learn, Quality Control of N-(2,6-Dimethylphenyl)-2-(piperazin-1-yl)acetamide, Especially from a beginner¡¯s point of view. Like 5294-61-1, Name is N-(2,6-Dimethylphenyl)-2-(piperazin-1-yl)acetamide, molecular formula is piperazines, belongs to piperazines compound. In a document, author is Lipin, Raju, introducing its new discovery.

Piperazine-substituted derivatives of favipiravir for Nipah virus inhibition: What do in silico studies unravel?

Favipiravir is found to show excellent in-vitro inhibition activity against Nipah virus. To explore the structure-property relationship of Favipiravir, in silico designing of a series of piperazine substituted Favipiravir derivatives are attempted and computational screening has been done to evaluate its bimolecular interactions with Nipah virus. The geometrical features of all the molecules have been addressed from Density Functional Theory calculations. Chemical reactivity descriptor analysis was carried out to understand various reactivity parameters. The drug-likeness properties were estimated by a detailed ADMET study. The binding ability and the mode of binding of these derivatives into the Nipah virus are obtained from molecular docking studies. Our calculations show greater binding ability for the designed inhibitors compared to that of the experimentally reported molecule. Overall, the present work proves to offers new insights and guidelines for synthetic chemists to develop new drugs using piperazine substituted Favipiravir in the treatment of Nipah virus.

If you are hungry for even more, make sure to check my other article about 5294-61-1, Quality Control of N-(2,6-Dimethylphenyl)-2-(piperazin-1-yl)acetamide.

Reference:
Piperazine – Wikipedia,
,Piperazines – an overview | ScienceDirect Topics

A catalyst don’t appear in the overall stoichiometry of the reaction it catalyzes, but it must appear in at least one of the elementary reactions in the mechanism for the catalyzed reaction. 5294-61-1, Name is N-(2,6-Dimethylphenyl)-2-(piperazin-1-yl)acetamide, molecular formula is C14H21N3O. In an article, author is Bitencourt, Monalisa,once mentioned of 5294-61-1, Recommanded Product: N-(2,6-Dimethylphenyl)-2-(piperazin-1-yl)acetamide.

Buclizine crystal forms: First Structural Determinations, counter-ion stoichiometry, hydration, and physicochemical properties of pharmaceutical relevance

Buclizine (BCZ) is a chiral synthetic piperazine derivative which has antihistaminic, anti-muscarinic and antiemetic properties, and has been reintroduced as an appetite stimulant, especially for pediatric patients. Structural information about this drug, as well as other buclizine crystalline forms (solvates, salts and co-crystals) including the BCZ free-base (BCZ-FB), is non-existent. Here, we present for the first time the crystal structure of the monohydrochloride monohydrate salt of BCZ (BCZHCl center dot H2O), and of its anhydrous form, BCZHCl. Interestingly, BCZHCl center dot H2O was obtained by recrystallization from the raw material (BCZH(2)Cl(2)) in ethanol:water solution showing that BCZ anhydrous dihydrochloride salt changes easily to a monohydrochloride monohydrate salt modification, which raise concerns about formulation quality control. BCZHCl center dot H2O and BCZHCl crystallize in the orthorhombic space groups (Pna2(1) and Pca2(1)) belonging to the mm2 point group and are thus classified as non-centrosymmetric achiral structures (NA). Intuitively, we expect these salts to crystallize in a space group with a center of symmetry, since less than 5% of the known racemic compounds crystallize in the NA type. The crystal structures of BCZH(2)Cl(2) and BCZ-FB were not determined, but their existence was verified by other techniques (chloride ion analysis, PXRD, HPLC, FT-IR, DSC, TGA) and by comparison of the obtained results with those found for BCZHCl. Additionally, we have also performed an evaluation of the equilibrium solubility (at six different aqueous media) and the dissolution profile of the BCZHCl salt compared to the raw material and BCZ-FB. Different equilibrium solubility values were found comparing the three forms in acidic and neutral pH ranges and all of them were insoluble at pH > 7.0. Moreover, tablets prepared with BCZH(2)Cl(2), BCZHCl or BCZ-FB show significant differences in terms of dissolution profile.

Interested yet? Keep reading other articles of 5294-61-1, you can contact me at any time and look forward to more communication. Recommanded Product: N-(2,6-Dimethylphenyl)-2-(piperazin-1-yl)acetamide.

Reference:
Piperazine – Wikipedia,
,Piperazines – an overview | ScienceDirect Topics

5294-61-1, Name is N-(2,6-Dimethylphenyl)-2-(piperazin-1-yl)acetamide, molecular formula is C14H21N3O, belongs to piperazines compound, is a common compound. In a patnet, author is Chamakuri, Srinivas, once mentioned the new application about 5294-61-1, Application In Synthesis of N-(2,6-Dimethylphenyl)-2-(piperazin-1-yl)acetamide.

Practical and scalable synthesis of orthogonally protected-2-substituted chiral piperazines

A synthetic route to orthogonally protected, enantiomerically pure 2-substituted piperazines is described. Starting from alpha-amino acids, within four steps chiral 2-substituted piperazines are obtained. The key transformation involves an aza-Michael addition between an orthogonally bis-protected chiral 1,2-diamine and the in situ generated vinyl diphenyl sulfonium salt derived from 2-bromoethyl-diphenylsulfonium triflate. Further validation using different protecting groups as well as synthesis on multigram scale was performed. The method was also applied to the construction of chiral 1,4-diazepanes and 1,4-diazocanes. Additionally, the method was utilized in a formal synthesis of chiral mirtazapine.

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Reference:
Piperazine – Wikipedia,
,Piperazines – an overview | ScienceDirect Topics

Reactions catalyzed within inorganic and organic materials and at electrochemical interfaces commonly occur at high coverage and in condensed media, causing turnover rates to depend strongly on interfacial structure and composition, 5294-61-1, Name is N-(2,6-Dimethylphenyl)-2-(piperazin-1-yl)acetamide, SMILES is O=C(NC1=C(C)C=CC=C1C)CN2CCNCC2, in an article , author is Howard, Zachary P., once mentioned of 5294-61-1, Application In Synthesis of N-(2,6-Dimethylphenyl)-2-(piperazin-1-yl)acetamide.

Selective Inhibition of Coxiella burnetii Replication by the Steroid Hormone Progesterone

Coxiella burnetii is a zoonotic bacterial obligate intracellular parasite and the cause of query (Q) fever. During natural infection of female animals, C. burnetii shows tropism for the placenta and is associated with late-term abortion, at which time the pathogen titer in placental tissue can exceed one billion bacteria per gram. During later stages of pregnancy, placental trophoblasts serve as the major source of progesterone, a steroid hormone known to affect the replication of some patho-gens. During infection of placenta-derived JEG-3 cells, C. burnetii showed sensitivity to progesterone but not the immediate precursor pregnenolone or estrogen, another major mammalian steroid hormone. Using host cell-free culture, progesterone was determined to have a direct inhibitory effect on C. burnetii replication. Synergy between the inhibitory effect of progesterone and the efflux pump inhibitors verapamil and 1-(1-naphthylmethyl)-piperazine is consistent with a role for efflux pumps in preventing progesterone-mediated inhibition of C. burnetii activity. The sensitivity of C. burnetii to progesterone, but not structurally related molecules, is consistent with the ability of progesterone to influence pathogen replication in progesterone producing tissues.

But sometimes, even after several years of basic chemistry education, it is not easy to form a clear picture on how they govern reactivity! 5294-61-1, you can contact me at any time and look forward to more communication. Application In Synthesis of N-(2,6-Dimethylphenyl)-2-(piperazin-1-yl)acetamide.

Reference:
Piperazine – Wikipedia,
,Piperazines – an overview | ScienceDirect Topics

One of the major reasons for studying chemical kinetics is to use measurements of the macroscopic properties of a system, such as the rate of change in the concentration of reactants or products with time. 5294-61-1, Name is N-(2,6-Dimethylphenyl)-2-(piperazin-1-yl)acetamide, formurla is C14H21N3O. In a document, author is Tha, Suprim, introducing its new discovery. Computed Properties of C14H21N3O.

Prospects of Indole derivatives as methyl transfer inhibitors: antimicrobial resistance managers

Background It is prudent that novel classes of antibiotics be urgently developed to manage the WHO prioritized multi-drug resistant (MDR) pathogens posing an unprecedented medical crisis. Simultaneously, multiple essential proteins have to be targeted to prevent easy resistance development. Methods An integration of structure-based virtual screening and ligand-based virtual screening was employed to explore the antimicrobial properties of indole derivatives from a compound database. Results Whole-genome sequences of the target pathogens were aligned exploiting DNA alignment potential of MAUVE to identify putative common lead target proteins. S-adenosyl methionine (SAM) biosynthesizing MetK was taken as the lead target and various literature searches revealed that SAM is a critical metabolite. Furthermore, SAM utilizing CobA involved in the B12 biosynthesis pathway, Dam in the regulation of replication and protein expression, and TrmD in methylation of tRNA were also taken as drug targets. The ligand library of 715 indole derivatives chosen based on kinase inhibition potential of indoles was created from which 102 were pursued based on ADME/T scores. Among these, 5 potential inhibitors of MetK in N. gonorrhoeae were further expanded to molecular docking studies in MetK proteins of all nine pathogens among which 3 derivatives exhibited inhibition potential. These 3 upon docking in other SAM utilizing enzymes, CobA, Dam, and TrmD gave 2 potential compounds with multiple targets. Further, docking with human MetK homolog also showed probable inhibitory effects however SAM requirements can be replenished from external sources since SAM transporters are present in humans. Conclusions We believe these molecules 3-[(4-hydroxyphenyl)methyl]-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione (ZINC04899565) and 1-[(3S)-3-[5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone (ZINC49171024) could be a starting point to help develop broad-spectrum antibiotics against infections caused by N. gonorrhoeae, A. baumannii, C. coli, K. pneumoniae, E. faecium, H. pylori, P. aeruginosa, S. aureus and S. typhi.

If you are hungry for even more, make sure to check my other article about 5294-61-1, Computed Properties of C14H21N3O.

Reference:
Piperazine – Wikipedia,
,Piperazines – an overview | ScienceDirect Topics

Reference of 5294-61-1, Enzymes are biological catalysts that produce large increases in reaction rates and tend to be specific for certain reactants and products. 5294-61-1, Name is N-(2,6-Dimethylphenyl)-2-(piperazin-1-yl)acetamide, SMILES is O=C(NC1=C(C)C=CC=C1C)CN2CCNCC2, belongs to piperazines compound. In a article, author is Ambika, V. Revathi, introduce new discover of the category.

Growth, structural, spectral, optical and thermal studies of a novel third-order nonlinear optical single crystal: Piperazine-1,4-diium bis(2, 4-dichlorobenzoate)

A novel third-nonlinear optical (NLO) crystal, piperazine-1,4-diium bis(2,4-dichlorobenzoate) (abbreviated as PBDCB) was successfully synthesized and grown good quality crystal by slow evaporation solution growth technique by methanol as a solvent at room temperature. The formation of the grown crystal was carried out by single-crystal X-ray diffraction analysis. The analysis of a single crystal X-ray diffraction reveals that the title compound was crystallized in the monoclinic system with centrosymmetric space group P21/c and thereof lattice parameter are a = 11.166(6) angstrom, b = 8.160(5) angstrom, c = 12.085(6) angstrom, beta= 113.18(3) degrees, Z = 4. Crystallographic studies also reveal that the molecules are linked via N-HO and C-H Cl hydrogen bonds. Pairs of intermolecular N-HO hydrogen bonds generate R 4 4 (12) ring motifs. The powder X-ray diffraction study was completed and the peaks were indexed. UV-Vis spectral studies were revealed that the grown crystal is transparent in the entire visible region with a lower cut off the wavelength of 286 nm. The optical band gap of the title compound was measured by Tauc’s plot method, and it was obtained to be 3.9 eV, which shows suitable applications of the optoelectronic device. In the photoluminescence study, the grown crystal was revealed violet emission radiation, and thereof peak has appeared at 312 nm. The functional groups of the grown crystal have been determined by Fourier Transform Infra-Red (FTIR) spectroscopy technique. In thermogravimetric (TGA) and differential thermal analysis (DTA) analysis, the title material was determined as thermally as stable up to 163 degrees C. The Vickers Microhardness test ascertained the mechanical properties of the grown crystal material, and it belongs to a soft material category. The dielectric measurements of the developed crystal material were also ascertained at various frequencies. The dielectric constant, dielectric loss, and A.C. the conductivity of title material was studied with different frequencies and temperatures. The laser damage threshold (LDT) of the grown crystal was then calculated by using Nd: YAG laser. The grown crystal has given the measured (LDT) value of 8.97 GW/cm2. The third-order nonlinear optical (NLO) properties characteristics, such as absorption coefficient (beta similar to 0.02 x 10 -4 cm/W), the refractive index (n(2) similar to 4.06 x 10(-8) cm(2)/W), and their susceptibility range values of (chi((3)) similar to 2.17 x 10(-6)esu) of the grown crystal was estimated by Z-scan technique, suggests that the grown crystal material PBDCB was served as a promising source for nonlinear optical devices. (C) 2020 Elsevier B.V. All rights reserved.

Reference of 5294-61-1, Each elementary reaction can be described in terms of its molecularity, the number of molecules that collide in that step. The slowest step in a reaction mechanism is the rate-determining step.you can also check out more blogs about 5294-61-1.

Reference:
Piperazine – Wikipedia,
,Piperazines – an overview | ScienceDirect Topics

One of the major reasons for studying chemical kinetics is to use measurements of the macroscopic properties of a system, such as the rate of change in the concentration of reactants or products with time. 5294-61-1, Name is N-(2,6-Dimethylphenyl)-2-(piperazin-1-yl)acetamide, formurla is C14H21N3O. In a document, author is Dai, Xia-Lin, introducing its new discovery. Formula: C14H21N3O.

Solubility and Permeability Improvement of Allopurinol by Cocrystallization

Allopurinol is a xanthine oxidase inhibitor with poor solubility and permeability, which severely limit its drug absorption following the administration of some dosage forms, such as tablets and rectal suppositories. To improve the physicochemical properties, three cocrystals of allopurinol with isonicotinamide (ALP-INA), piperazine (ALP-PIP), and 2,4-dihydroxybenzoic acid (ALP-24DHBZA) were successfully prepared by a slurry or liquid-assisted grinding method. The obtained cocrystal materials were characterized by single-crystal X-ray diffraction, powder X-ray diffraction, infrared spectroscopy, differential scanning calorimetry, and thermogravimetric analyses and were subjected to dynamic vapor sorption, dissolution, and membrane permeability studies. ALP-INA showed solubility and diffusion/membrane permeability similar to those of the parent drug. In contrast, ALP-PIP exhibited improved diffusion/membrane permeability, and ALP-24DHBZA exhibited improved dissolution behavior, respectively. These results suggest that ALP-PIP and ALP-24DHBZA have the potential to be developed as new, more efficient formulations of allopurinol.

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Reference:
Piperazine – Wikipedia,
,Piperazines – an overview | ScienceDirect Topics

A catalyst don’t appear in the overall stoichiometry of the reaction it catalyzes, but it must appear in at least one of the elementary reactions in the mechanism for the catalyzed reaction. 5294-61-1, Name is N-(2,6-Dimethylphenyl)-2-(piperazin-1-yl)acetamide, molecular formula is C14H21N3O. In an article, author is Zaharani, Lia,once mentioned of 5294-61-1, Product Details of 5294-61-1.

1H,4H-Piperazine-diium Dichlorosulfonate: Structure Elucidation and its Dual Solvent-Catalyst Activity for the Synthesis of New Dihydro-[1,2,4]triazolo[1,5-a]pyrimidine Scaffolds

A new ionic liquid containing a 1H,4H-piperazine-diium ring and chlorosulfonate as a 1,4-dicationic core and counter ion, respectively, was designed and synthesised. The structure elucidation of this ionic liquid was conducted by 1D and 2D NMR, FT-IR, Raman, and mass spectrum analysis. The physical properties of this ionic liquid were determined and reported. Furthermore, the dual solvent-catalyst activity of piperazine-1,4-diium dichlorosulfonate was investigated for the synthesis of new dihydro[1,2,4]triazolo[1,5-a]pyrimidines through a one-pot three-component reaction. The ionic liquid was retrieved and reused several times without reducing its catalytic efficiency.

Interested yet? Keep reading other articles of 5294-61-1, you can contact me at any time and look forward to more communication. Product Details of 5294-61-1.

Reference:
Piperazine – Wikipedia,
,Piperazines – an overview | ScienceDirect Topics