Category: piperazines

Chemistry is the science of change. But why do chemical reactions take place? Why do chemicals react with each other? The answer is in thermodynamics and kinetics, Formula: C5H12N2, 109-01-3, Name is 1-Methylpiperazine, SMILES is CN1CCNCC1, belongs to piperazines compound. In a document, author is Veligeti, Rajkumar, introduce the new discover.

Synthesis of novel cytotoxic tetracyclic acridone derivatives and study of their molecular docking, ADMET, QSAR, bioactivity and protein binding properties

Acridone based synthetic and natural products with inherent anticancer activity advancing the research and generating a large number of structurally diversified compounds. In this sequence we have designed, synthesized a series of tetracyclic acridones with amide framework viz., 3-(alkyloyl/ aryloyl/ heteroaryloyl/ heteroaryl)-2,3-dihydropyrazino[3,2,1-de]acridin-7(1H)-ones and screened for their in vitro anti-cancer activity. The in vitro study revealed that compounds with cyclopropyl-acetyl, benzoyl, p-hydroxybenzoyl, p-(trifluoromethyl)benzoyl, p-fluorobenzoyl, m-fluorobenzoyl, picolinoyl, 6-methylpicolinoyl and 3-nicotinoyl groups are active against HT29, MDAMB231 and HEK293T cancer cell lines. The molecular docking studies performed for them against 4N5Y, HT29 and 2VWD revealed the potential ligand-protein binding interactions among the neutral aminoacid of the enzymes and carbonyl groups of the title compounds with a binding energy ranging from -8.1394 to -6.9915 kcal/mol. In addition, the BSA protein binding assay performed for them has confirmed their interaction with target proteins through strong binding to BSA macromolecule. The additional studies like ADMET, QSAR, bioactivity scores, drug properties and toxicity risks ascertained them as newer drug candidates. This study had added a new collection of piperazino fused acridone derivatives to the existing array of other nitrogen heterocyclic fused acridone derivatives as anticancer agents.

A reaction mechanism is the microscopic path by which reactants are transformed into products. Each step is an elementary reaction. In my other articles, you can also check out more blogs about 109-01-3. Formula: C5H12N2.

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

Chemistry, like all the natural sciences, Category: piperazines, begins with the direct observation of nature¡ª in this case, of matter.300543-56-0, Name is (R)-1-((4-Chlorophenyl)(phenyl)methyl)piperazine, SMILES is ClC1=CC=C([C@H](N2CCNCC2)C3=CC=CC=C3)C=C1, belongs to piperazines compound. In a document, author is Ribaudo, Giovanni, introduce the new discover.

9,10-Bis[(4-(2-hydroxyethyl)piperazine-1-yl)prop-2-yne-1-yl]anthracene: Synthesis and G-Quadruplex Selectivity

G-quadruplex DNA is the target of several natural and synthetic small molecules with antiproliferative and antiviral activity. We here report the synthesis throughSonogashirareaction and A3 coupling of a disubstituted anthracene derivative, 9,10-bis[(4-(2-hydroxyethyl)piperazine-1-yl)prop-2-yne-1-yl]anthracene. The binding of this compound to G-quadruplex and double stranded DNA sequences was evaluated using electrospray ionization mass spectrometry (ESI-MS), demonstrating selectivity for the first structure. The interaction pattern of the ligand with G-quadruplex was investigated by molecular docking and stacking was found to be the preferred binding mode.

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 300543-56-0. Category: piperazines.

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

Related Products of 109-01-3, Children learn through play, and they learn more than adults might expect. Science experiments are a great way to spark their curiosity, 109-01-3, Name is 1-Methylpiperazine, SMILES is CN1CCNCC1, belongs to piperazines compound. In a article, author is Khalil, Noha, introduce new discover of the category.

Altitude impact on the chemical profile and biological activities of Satureja thymbra L. essential oil

Background: Several agricultural or environmental factors affect plants’ chemical and pharmacological properties. Methods: In this study, the essential oil of Libyan Satureja thymbra was isolated from plants collected during two successive years at two different altitudes; Wasita (WEO) and Safsaf (SEO), 156 and 661m above sea level, respectively. Results: GC/MS allowed the identification of 21 and 23 compounds, respectively. Thymol prevailed in WEO (26.69%), while carvacrol prevailed in SEO (14.30%). Antimicrobial activity was tested by agar-well diffusion method, and MIC/MLC values were determined by broth dilution method. Values of MIC/MLC were 0.125/0.25 mu g/ml for SEO against S. aureus, P. mirabilis and K. pneumonia and for WEO against B. subtilus. It was observed that plants growing at lower altitude in Wasita locality had better antifungal activity, while those growing at higher altitude at Safsaf locality had better antibacterial activity. Both essential oils had a better anthelmintic activity than the standard piperazine citrate against a tested earthworm. However, SEO oil had a significantly higher anthelmintic activity than WEO. Cytotoxicity of the oils tested using SRB assay on human breast cancer (MCF-7) and colon cancer cell lines (HCT-116) showed better activity for SEO, especially against HCT-116 with IC50 2.45 +/- 0.21 mu g/ml. Conclusions: Thus, altitude is an important factor that should be considered as it affected the yield, composition and biology of the plant extracts.

Related Products of 109-01-3, The reactant in an enzyme-catalyzed reaction is called a substrate. Enzyme inhibitors cause a decrease in the reaction rate of an enzyme-catalyzed reaction.I hope my blog about 109-01-3 is helpful to your research.

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

Related Products of 147081-29-6, The transformation of simple hydrocarbons into more complex and valuable products via catalytic C¨CH bond functionalisation has revolutionised modern synthetic chemistry. 147081-29-6, Name is (S)-tert-Butyl 3-methylpiperazine-1-carboxylate, SMILES is O=C(N1C[C@H](C)NCC1)OC(C)(C)C, belongs to piperazines compound. In a article, author is Yang, Dong, introduce new discover of the category.

Hyperbranched Poly(ester-enamine) from Spontaneous Amino-yne Click Reaction for Stabilization of Gold Nanoparticle Catalysts

Hyperbranched polymers have garnered much attention due to attractive properties and wide applications, such as drug-controlled release, stimuli-responsive nano-objects, photosensitive materials and catalysts. Herein, two types of novel hyperbranched poly(ester-enamine) (hb-PEEa) were designed and synthesized via the spontaneous amino-yne click reaction of A(2)monomer (1, 3-bis(4-piperidyl)-propane (A(2a)) or piperazine (A(2b))) and B(3)monomer (trimethylolpropanetripropiolate). According to Flory’s hypothesis, gelation is an intrinsic problem in an ideal A(2)+B(3)polymerization system. By controlling the polymerization conditions, such as monomer concentration, molar ratio and rate of addition, a non-ideal A(2)+B(3)polymerization system can be established to avoid gelation and to synthesize soluble hb-PEEa. Due to abundant unreacted alkynyl groups in periphery, the hb-PEEa can be further functionalized by different amino compounds or their derivates. The as-prepared amphiphilic PEG-hb-PEEa copolymer can readily self-assemble into micelles in water, which can be used as surfactant to stabilize Au nanoparticles (AuNPs) during reduction of NaBH(4)in aqueous solution. As a demonstration, the as-prepared PEG-hb-PEEa-supported AuNPs demonstrate good dispersion in water, solvent stability and remarkable catalytic activity for reduction of nitrobenzene compounds.

Related Products of 147081-29-6, 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 147081-29-6.

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

Electric Literature of 147081-29-6, The transformation of simple hydrocarbons into more complex and valuable products via catalytic C¨CH bond functionalisation has revolutionised modern synthetic chemistry. 147081-29-6, Name is (S)-tert-Butyl 3-methylpiperazine-1-carboxylate, SMILES is O=C(N1C[C@H](C)NCC1)OC(C)(C)C, belongs to piperazines compound. In a article, author is Haruna, Kabiru, introduce new discover of the category.

N,N ‘-Bis-(2-aminoethyl)piperazine functionalized graphene oxide (NAEP-GO) as an effective green corrosion inhibitor for simulated acidizing environment

In this work we evaluated the corrosion inhibition efficacy of N,N’-Bis-(2-aminoethyl)piperazine functionalized graphene oxide (NAEP-GO) against carbon steel in 15% HCl which simulate oil well acidizing environment by weight loss (at ambient and higher temperatures) and electrochemical measurement experiments. The GO was synthesized using waste graphite, after which N,N’ -Bis-(2-aminoethyl)piperazine was grafted onto the GO. Both the GO and NAEP-GO were characterized by FTIR, Raman and TEM techniques. The effect of concentration, temperature and time on the performance of the inhibitor was investigated in this study. The inhibitor efficiency was observed to increase with concentration and a maximum inhibition efficiency of 87% was observed for 25 ppm NAEP-GO at room temperature. The inhibitor exhibited excellent performance at the studied temperatures, however the performance decreases with increase in temperature. The inhibitor showed excellent efficiency of over 80% for all the studied immersion time. The PDP measurement revealed the NAEP-GO to acts predominantly as a cathodic-type inhibitor. The studied compound was observed to obey the Langmuir adsorption isotherm. SEM/EDS, AFM surface morphology and FT-IR analyses of the corrosion product after 24 h’ immersion in the NAEP-GO inhibited solution provide evidence of adsorption of NAEP-GO molecules on the steel surface to form the protective NAEP-GO film that blocked the steel surface from the aggressive acid attack. This study is of importance in solving two main environmental problems, corrosion and the problem of waste disposal as GO was prepared from waste graphite.

Electric Literature of 147081-29-6, One of the oldest and most widely used commercial enzyme inhibitors is aspirin, which selectively inhibits one of the enzymes involved in the synthesis of molecules that trigger inflammation. you can also check out more blogs about 147081-29-6.

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

A catalyst don’t appear in the overall stoichiometry of the reaction it catalyzes, Category: piperazines, but it must appear in at least one of the elementary reactions in the mechanism for the catalyzed reaction. 5308-25-8, Name is 1-Ethylpiperazine, molecular formula is C6H14N2. In an article, author is Bhardwaj, Rajesh,once mentioned of 5308-25-8.

Inactivation-mimicking block of the epithelial calcium channel TRPV6

Epithelial calcium channel TRPV6 plays vital roles in calcium homeostasis, and its dysregulation is implicated in multifactorial diseases, including cancers. Here, we study the molecular mechanism of selective nanomolar-affinity TRPV6 inhibition by (4-phenylcyclohexyl)piperazine derivatives (PCHPDs). We use x-ray crystallography and cryo-electron microscopy to solve the inhibitor-bound structures of TRPV6 and identify two types of inhibitor binding sites in the transmembrane region: (i) modulatory sites between the S1-S4 and pore domains normally occupied by lipids and (ii) the main site in the ion channel pore. Our structural data combined with mutagenesis, functional and computational approaches suggest that PCHPDs plug the open pore of TRPV6 and convert the channel into a nonconducting state, mimicking the action of calmodulin, which causes inactivation of TRPV6 channels under physiological conditions. This mechanism of inhibition explains the high selectivity and potency of PCHPDs and opens up unexplored avenues for the design of future-generation biomimetic drugs.

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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. 130307-08-3, Name is 1-(4-Bromophenyl)-4-methylpiperazine, molecular formula is C11H15BrN2. In an article, author is Li, Si,once mentioned of 130307-08-3, Name: 1-(4-Bromophenyl)-4-methylpiperazine.

Photocatalytic transformation fate and toxicity of ciprofloxacin related to dissociation species: Experimental and theoretical evidences

Chemical speciation of ionizable antibiotics greatly affects its photochemical kinetics and mechanisms; however, the mechanistic impact of chemical speciation is not well understood. For the first time, the impact of different dissociation species (cationic, zwitterionic and anionic forms) of ciprofloxacin (CIP) on its photocatalytic transformation fate was systematically studied in a UVA/LED/TiO2 system. The dissociation forms of CIP at different pH affected the photocatalytic degradation kinetics, transformation products (TPs) formation as well as degradation pathways. Zwitterionic form of CIP exhibited the highest degradation rate constant (0.2217 +/- 0.0179 min(-1)), removal efficiency of total organic carbon (TOC) and release of fluoride ion (F-). Time-dependent evolution profiles on TPs revealed that the cationic and anionic forms of CIP mainly underwent piperazine ring dealkylation, while zwitterionic CIP primarily proceeded through defluorination and piperazine ring oxidation. Moreover, density functional theory (DFT) calculation based on Fukui index well interpreted the active sites of different CIP species. Potential energy surface (PES) analysis further elucidated the reaction transition state (TS) evolution and energy barrier (Lambda E-b) for CIP with different dissociation species after radical attack. This study provides deep insights into degradation mechanisms of emerging organic contaminants in advanced oxidation processes associated to their chemical speciation. (c) 2020 Elsevier Ltd. All rights reserved.

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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. 5625-37-6, Name is 2,2′-(Piperazine-1,4-diyl)diethanesulfonic acid, molecular formula is C8H18N2O6S2. In an article, author is Abbasi, Muhammad Athar,once mentioned of 5625-37-6, Product Details of 5625-37-6.

Synthesis of some N-sulfonated derivatives of 1-[(E)-3-phenyl-2-propenyl]piperazine as suitable antibacterial agents

In the planned research work, the nucleophilic substitution reaction of 1-[(E)-3-phenyl-2-propenyl]piperazine (1) was carried out with different sulfonyl chlorides (2a-g) at pH 9-10 to synthesize its different N-sulfonated derivatives (3a-g). The structures of the synthesized compounds were characterized by their proton-nuclear magnetic resonance (H-1-NMR), carbon-nuclear magnetic resonance (C-13-NMR) and Infra Red (IR) spectral data, along with CHN analysis. The inhibition potential of the synthesized molecules was ascertained against two bacterial pathogenic strains i.e. Bacillus subtilis and Escherichia coli. It was inferred from the results that some of the compounds were very suitable inhibitors of these bacterial strains. Moreover, their cytotoxicity was also profiled and it was outcome that most of these molecules possessed moderate cytotoxicity.

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

Chemo-enzymatic cascade processes are invaluable due to their ability to rapidly construct high-value products from available feedstock chemicals in a one-pot relay manner. In an article, author is Mazari, Shaukat Ali, once mentioned the application of 139755-85-4, Name is 5-(2-Ethoxy-5-((4-(2-hydroxyethyl)piperazin-1-yl)sulfonyl)phenyl)-1-methyl-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one, molecular formula is C23H32N6O5S, molecular weight is 504.6024, MDL number is MFCD00908400, category is piperazines. Now introduce a scientific discovery about this category, Safety of 5-(2-Ethoxy-5-((4-(2-hydroxyethyl)piperazin-1-yl)sulfonyl)phenyl)-1-methyl-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one.

Thermal degradation kinetics of morpholine for carbon dioxide capture

Deterioration of amines under process operating conditions for sour gas treatment is a severe problem. New amines are being investigated to replace conventional amines which face operational, economic and environmental challenges. Morpholine (MOR) is an understudied amine for carbon dioxide (CO2) capture which comes with good CO2 capture characteristics like CO2 absorption rate, CO2 solubility etc. This study investigates the stability of aqueous morpholine under stripper conditions. Effect of CO2 loading and temperature have been investigated on the degradation kinetics of MOR. CO2 loading is varied from 0 to 0.48 mol CO2/mol alkalinity and temperatures is varied 135-190 degrees C. Thermal degradation experiments were conducted using 316 stainless steel cylinders, closed with Swagelok (R) endcaps. The degraded samples were analyzed by using Gas Chromatography-Mass Spectrometry (GC-MS), Gas Chromatography-Flame Ionization Detector (GC-FID) and Liquid Chromatography Quadrupole Time-of-Flight Mass Spectrometry (LC-QToE-MS) for morpholine concentration and identification of degradation products. Morpholine demonstrated higher stability up to 150 degrees C. However, higher degradation rate is found at temperatures 175 degrees C and above. Degradation rate increases with CO2 loading. Identified degradation products are tabulated in the text and reaction mechanisms for formation of some of the key degradation products are also provided. A kinetic model for the rate of degradation of morpholine is proposed, which shows a decent agreement with experimental data. Comparison shows that morpholine is thermally more stable compared to monoethanolamine (MEA), diethanolamine (DEA), methyldiethanolamine (MDEA) and piperazine (PZ).

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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. 111974-74-4, Name is 11-(1-Piperazinyl)-dibenzo[b,f][1,4]thiazepine dihydrochloride, molecular formula is C17H19Cl2N3S. In an article, author is Ghalib, Lubna,once mentioned of 111974-74-4, Computed Properties of C17H19Cl2N3S.

Modeling the rate of corrosion of carbon steel using activated diethanolamine solutions for CO2 absorption

A mechanistic model is developed to investigate the influence of an activator on the corrosion rate of carbon steel in the absorption processes of carbon dioxide (CO2). Piperazine (PZ) is used as the activator in diethanolamine (DEA) aqueous solutions. The developed model for corrosion takes into consideration the effect of fluid flow, transfer of charge and diffusion of oxidizing agents and operating parameters like temperature, activator concentration, CO2 loading and pH. The study consists of two major models: Vapor-liquid Equilibrium (VLE) model and electrochemical corrosion model. The electrolyte-NRTL equilibrium model was used for determination of concentration of chemical species in the bulk solution. The results of speciation were subsequently used for producing polarization curves and predicting the rate of corrosion occurring at the surface of metal. An increase in concentration of activator, increases the rate of corrosion of carbon steel in mixtures of activated DEA. (C) 2020 The Chemical Industry and Engineering Society of China, and Chemical Industry Press Co., Ltd. All rights reserved.

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