Month: April 2022

Product Details of 4897-25-0. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 5-Chloro-1-methyl-4-nitroimidazole, is researched, Molecular C4H4ClN3O2, CAS is 4897-25-0, about Highly selective solid phase extraction and preconcentration of Azathioprine with nano-sized imprinted polymer based on multivariate optimization and its trace determination in biological and pharmaceutical samples. Author is Davarani, Saied Saeed Hosseiny; Zad, Zeinab Rezayati; Taheri, Ali Reza; Rahmatian, Nasrin.

In this research, for first time selective separation and determination of Azathioprine is demonstrated using molecularly imprinted polymer as the solid-phase extraction adsorbent, measured by spectrophotometry at λmax 286 nm. The selective molecularly imprinted polymer was produced using Azathioprine and methacrylic acid as a template mol. and monomer, resp. A molecularly imprinted solid-phase extraction procedure was performed in column for the analyte from pharmaceutical and serum samples. The synthesized polymers were characterized by IR spectroscopy (IR), field emission SEM (FESEM). In order to investigate the effect of independent variables on the extraction efficiency, the response surface methodol. (RSM) based on Box-Behnken design (BBD) was employed. The anal. parameters such as precision, accuracy and linear working range were also determined in optimal exptl. conditions and the proposed method was applied to anal. of Azathioprine. The linear dynamic range and limits of detection were 2.5-0.01 and 0.008 mg L- 1 resp. The recoveries for analyte were higher than 95% and relative standard deviation values were found to be in the range of 0.83-4.15%. This method was successfully applied for the determination of Azathioprine in biol. and pharmaceutical samples.

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The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: Bis(acetylacetonato)dioxomolybdenum(VI)( cas:17524-05-9 ) is researched.Name: Bis(acetylacetonato)dioxomolybdenum(VI).Eglence-Bakir, Songul; Sahin, Musa; Zahoor, Muhammad; Dilmen-Portakal, Eylem; Ulkuseven, Bahri published the article 《Synthesis and biological potentials of dioxomolybdenum(VI) complexes with ONS and ONN chelating thiosemicarbazones: DNA-binding, antioxidant and enzyme inhibition studies》 about this compound( cas:17524-05-9 ) in Polyhedron. Keywords: molybdenum oxo salicylidene thiosemicarbazone complex preparation crystal structure; antibacterial activity molybdenum oxo salicylidene thiosemicarbazone complex; antioxidant activity molybdenum oxo salicylidene thiosemicarbazone complex; enzyme inhibitor molybdenum oxo salicylidene thiosemicarbazone complex; anticholinesterase antidiabetic activity molybdenum oxo salicylidene thiosemicarbazone complex; DNA interaction molybdenum oxo salicylidene thiosemicarbazone complex. Let’s learn more about this compound (cas:17524-05-9).

In this study dioxomolybdenum (vi) complexes of 5-methoxysalicylidene N- or S-alkyl substituted thiosemicarbazones {where alkyl is N-Me (L1), N-octyl (L2), S-Me (L3) or S-octyl (L4)} were synthesized, characterized by different spectroscopic techniques (UV, IR, 1H NMR). The structure of the complex with S-methyl-substituted thiosemicarbazone (complex 3) was also determined by x-ray diffraction method. The compounds were evaluated for their antibacterial, antioxidant, anticholinesterase, antidiabetic, and DNA interaction potentials. K. pneumonia was more potently inhibited by ligand L3 (29 ± 0.025 mm zone of inhibition) while E. coli and S. typhi by complex 2 with zone of inhibition of ∼28 ± 0.082 and 26 ± 0.245 mm, resp. Complex 2 more potently scavenged DPPH free radical with IC50 of 231μg/mL while ABTS by ligand L1 (IC50 = 350μg/mL). Complex 4 with S-octyl has high percent inhibition of acetylcholinesterase with IC50 of 104μg/mL. Complex 4 strongly inhibited α-amylase with an IC50 value of 153μg/mL while ligand L4 with IC50 value of 285μg/mL was more potent inhibitor of α-glucosidase. DNA interaction studies revealed the noncovalent interaction of these compounds with DNA. Highest binding constant among these compounds was recorded for ligand L2 with blue shifts and hyperchromism while lowest for L3.

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Name: Pyridine-4-thiol. The protonation of heteroatoms in aromatic heterocycles can be divided into two categories: lone pairs of electrons are in the aromatic ring conjugated system; and lone pairs of electrons do not participate. Compound: Pyridine-4-thiol, is researched, Molecular C5H5NS, CAS is 4556-23-4, about Ionic cocrystals of dithiobispyridines: the role of I···I halogen bonds in the building of iodine frameworks and the stabilization of crystal structures. Author is Wzgarda-Raj, Kinga; Nawrot, Martyna; Rybarczyk-Pirek, Agnieszka J.; Palusiak, Marcin.

It has been confirmed that mercaptopyridines undergo spontaneous condensation in redox reaction with iodine-forming dithiopyridines. In the solid state, these compounds are protonated at the N atoms and cocrystallize with iodine forming salt structures, namely, 2-[(pyridin-2-yl)disulfanyl]pyridinium triiodide sesquiiodine, C10H9N2S2+·I3-·1.5I2, and 4,4′-(disulfanediyl)dipyridinium pentaiodide triiodide, C10H10N2S22+·I5-·I3-. Dithiopyridine cations are packed among three-dimensional frameworks built from iodide anions and neutral iodine mols., and are linked by hydrogen, halogen and chalcogen interactions. Quantum chem. computations indicated that dithiopyridines exhibit anomalously high nitrogen basicity which qualify them as potential proton sponges.

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Application of 4556-23-4. Aromatic heterocyclic compounds can also be classified according to the number of heteroatoms contained in the heterocycle: single heteroatom, two heteroatoms, three heteroatoms and four heteroatoms. Compound: Pyridine-4-thiol, is researched, Molecular C5H5NS, CAS is 4556-23-4, about Etchable SERS nanosensor for accurate pH and hydrogen peroxide sensing in living cells. Author is Bai, Lu; Wang, Xiaojie; Zhang, Kaifu; Tan, Xiaoyue; Zhang, Yuying; Xie, Wei.

No methodol. has been built to distinguish intracellular SERS nanosensors from cell outer membrane bound-ones. Here the authors propose a “”turning off”” strategy by combining etchable SERS nanosensors with a non-permeable etchant. The SERS signals outside the living cells can be rapidly removed, leaving only the internalized nanosensors for imaging and thereby allowing accurate intracellular pH and H2O2 sensing.

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COA of Formula: C4H4ClN3O2. The reaction of aromatic heterocyclic molecules with protons is called protonation. Aromatic heterocycles are more basic than benzene due to the participation of heteroatoms. Compound: 5-Chloro-1-methyl-4-nitroimidazole, is researched, Molecular C4H4ClN3O2, CAS is 4897-25-0, about Kinetic studies of the photodegradation of nitroimidazole derivatives in the solid state. Author is Marciniec, Barbara; Bugaj, A.; Kedziora, W..

The kinetics of the photodegradation of 7 nitroimidazoles including the chemotherapeutics metronidazole, ornidazole, and tinidazole were determined in the solid state by a direct method from the IR spectra using the “”alkali-halide matrix”” technique. The photochem. decomposition of nitroimidazole in the solid state proceeds according to a first-order reaction. An order of photochem. stability of nitromidazole derivatives in the solid state. is suggested using the calculated kinetic parameters. The photochem. stability of the studied compounds is affected by the substituents at position N(1) and C(5) of the nitroimidazole ring.

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The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: Bis(acetylacetonato)dioxomolybdenum(VI), is researched, Molecular C10H14MoO6, CAS is 17524-05-9, about Sequential Fluorescence Recognition of Molybdenum(VI), Arsenite, and Phosphate Ions in a Ratiometric Manner: A Facile Approach for Discrimination of AsO2- and H2PO4-, the main research direction is sequential fluorescence recognition molybdenum arsenite phosphate ion ratiometric manner.Related Products of 17524-05-9.

An amide based smart probe (L) is explored for nano-molar detection of Mo(VI) ion in a ratiometric manner involving hydrogen bond assisted CHEF (Chelation Enhanced Fluorescence) process through inhibition of PET (Photoinduced Electron Transfer) process. The recognition of Mo(VI) is associated with 17-fold fluorescence enhancement and confirmed by single crystal X-ray diffraction (SCXRD) of the resulting Mo(VI) complex (M1). Further, M1 selectively recognizes arsenite through green emission of their adduct (C1) with 81-fold fluorescence enhancement. Interestingly, dihydrogen phosphate causes dissociation of C1 back to free L having weak fluorescence. The methods are fast, highly selective and allow their bare eye visualization at physiol. pH. All the interactions have been substantiated by TD-DFT calculations to rationalize their spectroscopic properties. The corresponding lowest detection limits are 1.5 × 10-8 M for Mo(VI), 1.2 x 10-10 M for AsO2- and 3.2 × 10-6 M for H2PO4-whereas resp. association constants are 4.21 × 105 M-1 for Mo(VI), 6.49 x 104 M-1 for AsO2- and 2.11 x 105 M-1 H2PO4-. The L is useful for efficient enrichment of Mo(VI) from aqueous solution while M1 efficiently removes AsO2- from environmental samples by solid phase extraction

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Formula: C4H4ClN3O2. The protonation of heteroatoms in aromatic heterocycles can be divided into two categories: lone pairs of electrons are in the aromatic ring conjugated system; and lone pairs of electrons do not participate. Compound: 5-Chloro-1-methyl-4-nitroimidazole, is researched, Molecular C4H4ClN3O2, CAS is 4897-25-0, about Metabolic fate of the methylnitroimidazole moiety of azathioprine in the rat. Author is De Miranda, Paulo; Beacham, Lowrie M. III; Creagh, Teresa H.; Elion, Gertrude B..

The major unbound radioactive metabolite of 14C-labeled azathioprine (I) [446-86-6], labeled on the methylnitroamidazole ring, in rat liver homogenates, was 1-methyl-4-nitro-5-(S-glutathionyl)imidazole [36892-55-4] while .sim.10% of the radioactivity was bound to protein. The major urinary metabolite was 1-methyl-4-nitro-5-(N-acetyl-S-cysteinyl)imidazole [51052-82-5], which was a biotransformation product of the glutathionyl imidazole. The metabolite was also isolated from rat liver perfusates by incubation of I with blood and in vivo in the blood, but not in the urine, of rats given I. The various modes of splitting of I and of the formation of 1-methyl-4-nitro-5-thiomidazole [6339-54-4] are discussed and a pathway for the metabolic alteration of I into its principal methylnitroimidazole metabolites in the rat was proposed.

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Application of 4556-23-4. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: Pyridine-4-thiol, is researched, Molecular C5H5NS, CAS is 4556-23-4, about Molecular-Scale Chemical Imaging of the Orientation of an On-Surface Coordination Complex by Tip-Enhanced Raman Spectroscopy. Author is Cai, Zhen-Feng; Zheng, Li-Qing; Zhang, Yao; Zenobi, Renato.

Metal-organic coordination structures at interfaces play an essential role in many biol. and chem. systems. Understanding the mol. specificity, orientation, and spatial distribution of the coordination complexes at the nanometer scale is of great importance for effective mol. engineering of nanostructures and fabrication of functional devices with controllable properties. However, fundamental properties of such coordination systems are still rarely studied directly. In this work, we present a spectroscopic approach on the basis of tip-enhanced Raman spectroscopy (TERS) to investigate cobalt(II) tetraphenyl-porphyrine coordination species on the scale of a single mol. under ambient conditions. Coordination species anchored on gold surfaces modified with pyridine thiol self-assembled monolayers can be spectroscopically distinguished and mapped with ca. 2 nm resolution In addition, in combination with d. functional theory simulations, the adsorption configuration and mol. orientation of the coordination complexes are also revealed using TERS imaging.

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Heterocyclic compounds can be divided into two categories: alicyclic heterocycles and aromatic heterocycles. Compounds whose heterocycles in the molecular skeleton cannot reflect aromaticity are called alicyclic heterocyclic compounds. Compound: 484-47-9, is researched, Molecular C21H16N2, about Room temperature ionic liquid promoted improved and rapid synthesis of highly functionalized imidazole and evaluation of their inhibitory activity against human cancer cells, the main research direction is trisubstituted imidazole green preparation antitumor human docking SAR; tetrasubstituted imidazole green preparation antitumor human docking SAR.HPLC of Formula: 484-47-9.

In this study, the use of a 1,8-diazabicyclo [5.4.0]-undec-7-en-8-ium imidazolate ionic liquid as a catalyst as well as a green solvent for the expeditious multicomponent transformation of trisubstituted imidazoles I [Ar = Ph, 4-MeOC6H4; R = n-Bu, Ph, 2-furyl, etc.] and tetrasubstituted imidazoles II [R1 = Ph, 4-ClC6H4, 2-thienyl, etc.; R2 = n-Bu, Ph, 4-FC6H4, etc.; R3 = Ph, 4-MeOC6H4] via pseudo-four- and four-component reactions with short reaction time, excellent yield and purity of products was reported. The ionic liquid was cheap, biodegradable and could be recovered and reused for more than five consecutive cycles. The advantage of this protocol for gram-scale synthesis added to its practical applicability. Selected synthesized tetra- and trisubstituted imidazole scaffolds were screened for their in vitro antiproliferative properties against the human cancer cell lines EC-109, MCF-7, HGC-27, and PC-3. Compounds I [R = 2,6-di-ClC6H3, Ar = Ph], II [R1 = 4-ClC6H4, R2 = 4-MeC6H4, R3 = Ph] and II [R1 = 4-ClC6H4, R2 = Ph, R3 = 4-MeOC6H4] showed potent cytotoxic activity against the human breast cancer cell line PC-3, MCF-7 and HGC-27, resp.

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Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Process Safety and Environmental Protection called Thermal hazards of benzaldehyde oxime: Based on decomposition products and kinetics analysis by adiabatic calorimeter, Author is Zhao, Xiao-Qiao; Wu, Wen-Qian; Li, Hua-bo; Guo, Zi-Chao; Chen, Wang-Hua; Chen, Li-Ping, which mentions a compound: 484-47-9, SMILESS is C1(C2=CC=CC=C2)=NC(C3=CC=CC=C3)=C(C4=CC=CC=C4)N1, Molecular C21H16N2, Quality Control of 2,4,5-Triphenylimidazole.

As a self-reactive substance, benzaldehyde oxime (BO) is prone to a highly exothermic runaway reaction and thermal hazard anal. and the reaction kinetics calculation of BO have great significance. In this work, the decomposition products of BO in nitrogen atm. were identified by GC-MS and HPLC techniques. The impact of the decomposition products on the decomposition behaviors of BO were analyzed by comparison of the ARC test results of pure BO and mixture of BO and decomposition products. It was found that N-benzylidene benzylamine was the intermediate decomposition product and benzoic acid, benzamide, N-benzyl benzamide, and 2,4,5-triphenylimidazole were the final products of BO. A two-step continuous autocatalytic reaction model was established to depict the decomposition process of BO. The kinetic parameters of the model were calculated by applying the nonlinear optimization method. Finally, thermal behaviors under different process temperature were predicted based on the kinetic model, and the time to maximum rate (TMRad) was predicted as 112.04°C under 24 h, and 122.19°C of 8 h, which offer crucial safety information to optimize the safety conditions of BO during usage, storage and transportation, which minimizes the industrial disasters.

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