Category: 3051-09-0

Chemistry is the experimental and theoretical study of materials on their properties at both the macroscopic and microscopic levels. 3051-09-0, Name is Murexide, molecular formula is C8H8N6O6. In an article, author is Mary, S. J. Jenepha,once mentioned of 3051-09-0, Recommanded Product: 3051-09-0.

Quantum chemical insight into molecular structure, NBO analysis of the hydrogen-bonded interactions, spectroscopic (FT-IR, FT-Raman), drug likeness and molecular docking of the novel anti COVID-19 molecule 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide – dimer

Novel antiviral active molecule 2- [(4,6-diaminopyrimidin-2-yl)sulfanyl]-N-(4-fluoro- phenyl)acetamide has been synthesised and characterized by FT-IR and FT-Raman spectra. The equilibrium geometry, natural bond orbital calculations and vibrational assignments have been carried out using density functional B3LYP method with the 6-311G++(d,p) basis set. The complete vibrational assignments for all the vibrational modes have been supported by normal coordinate analysis, force constants and potential energy distributions. A detailed analysis of the intermolecular interactions has been performed based on the Hirshfeld surfaces. Drug likeness has been carried out based on Lipinski’s rule and the absorption, distribution, metabolism, excretion and toxicity of the title molecule has been calculated. Antiviral potency of 2- [(4,6-diaminopyrimidin-2-yl)sulfanyl]-N-(4-fluoro-phenyl) acetamide has been investigated by docking against SARS-CoV-2 protein. The optimized geometry shows near-planarity between the phenyl ring and the pyrimidine ring. Differences in the geometries due to the substitution of the most electronegative fluorine atom and intermolecular contacts due to amino pyrimidine were analyzed. NBO analysis reveals the formation of two strong stable hydrogen bonded N-H center dot center dot center dot N intermolecular interactions and weak intramolecular interactions C-H center dot center dot center dot O and N-H center dot center dot center dot O. The Hirshfeld surfaces and consequently the 2D-fingerprint confirm the nature of intermolecular interactions and their quantitative contributions towards the crystal packing. The red shift in N-H stretching frequency exposed from IR substantiate the formation of N-H center dot center dot center dot N intermolecular hydrogen bond. Drug likeness and absorption, distribution, metabolism, excretion and toxicity properties analysis gives an idea about the pharmacokinetic properties of the title molecule. The binding energy -8.7 kcal/mol of the nonbonding interaction present a clear view that 2- [(4,6-diaminopyrimidin-2-yl)sulfanyl]-N-(4-fluoro- phenyl) acetamide can irreversibly interact with SARS-CoV-2 protease. (C) 2020 Published by Elsevier B.V.

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Reference:
Pyrimidine | C4H4N2 – PubChem,
,Pyrimidine – Wikipedia

Related Products of 3051-09-0, The transformation of simple hydrocarbons into more complex and valuable products via catalytic C¨CH bond functionalisation has revolutionised modern synthetic chemistry. 3051-09-0, Name is Murexide, SMILES is O=C1[N-]C(/C(C(N1)=O)=N/C(C(N2)=O)C(NC2=O)=O)=O.[NH4+], belongs to pyrimidines compound. In a article, author is Tadic, Dorde, introduce new discover of the category.

Occurrence and human health risk assessment of antibiotics and their metabolites in vegetables grown in field-scale agricultural systems

The occurrence of antibiotics (ABs) in four types of commercially grown vegetables (lettuce leaves, tomato fruits, cauliflower inflorescences, and broad bean seeds) was analyzed to assess the human exposure and health risks associated with different agronomical practices. Out of 16 targeted AB residues, seven ABs belonging to three groups (i.e., benzyl pyrimidines, fluoroquinolones, and sulfonamides) were above the method detection limit in vegetable samples ranging from 0.09 ng g(-1) to 3.61 ng g(-1) fresh weight. Data analysis (quantile regression models, principal component and hierarchical cluster analysis) showed manure application, irrigation with river water (indirect wastewater reuse), and vegetable type to be the most significant factors for AB occurrence in the targeted crops. Metabolites were detected in 70 of the 80 vegetable samples analyzed, and their occurrence was both plant- and compound-specific. In 73 % of the total samples, the concentration of AB metabolites was higher than the concentration of their parent compound. Finally, the potential human health risk estimated using the hazard quotient approach, based on the acceptable daily intake and the estimated daily intake, showed a negligible risk for human health from vegetable consumption. However, canonical-correspondence analysis showed that detected ABs explained 54 % of the total variation in AB resistance genes abundance in the vegetable samples. Thus, further studies are needed to assess the risks of antibiotic resistance promotion in vegetables and the significance of the occurrence of their metabolites.

Related Products of 3051-09-0, Because enzymes can increase reaction rates by enormous factors and tend to be very specific, typically producing only a single product in quantitative yield, they are the focus of active research.you can also check out more blogs about 3051-09-0.

Reference:
Pyrimidine | C4H4N2 – PubChem,
,Pyrimidine – Wikipedia

Chemistry, like all the natural sciences, begins with the direct observation of nature¡ª in this case, of matter.3051-09-0, Name is Murexide, SMILES is O=C1[N-]C(/C(C(N1)=O)=N/C(C(N2)=O)C(NC2=O)=O)=O.[NH4+], belongs to pyrimidines compound. In a document, author is Amador-Castro, Fernando, introduce the new discover, Category: pyrimidines.

Robust natural ultraviolet filters from marine ecosystems for the formulation of environmental friendlier bio-sunscreens

Ultraviolet radiation (UVR) has detrimental effects on human health. It induces oxidative stress, deregulates signaling mechanisms, and produces DNA mutations, factors that ultimately can lead to the development of skin cancer. Therefore, reducing exposure to UVR is of major importance. Among available measures to diminish exposure is the use of sunscreens. However, recent studies indicate that several of the currently used filters have adverse effects on marine ecosystems and human health. This situation leads to the search for new photoprotective compounds that, apart from offering protection, are environmentally friendly. The answer may lie in the same marine ecosystems since molecules such as mycosporine-like amino acids (MAAs) and scytonemin can serve as the defense system of some marine organisms against UVR. This review will discuss the harmful effects of UVR and the mechanisms that microalgae have developed to cope with it. Then it will focus on the biological distribution, characteristics, extraction, and purification methods of MAAs and scytonemin molecules to finally assess its potential as new filters for sunscreen formulation. (C) 2020 Elsevier B.V. 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 3051-09-0. Category: pyrimidines.

Reference:
Pyrimidine | C4H4N2 – PubChem,
,Pyrimidine – Wikipedia

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. 3051-09-0, Name is Murexide, formurla is C8H8N6O6. In a document, author is Litvinov, R. A., introducing its new discovery. SDS of cas: 3051-09-0.

Prediction of Antiglycation Activity by Calculating the Energies of Frontier Molecular Orbitals for New 4-Hydroxy-1,4-Dihydroazolo[5,1-c]-1,2,4-Triazines Used as an Example

Protein glycation and the formation of advanced glycation end products (AGEs) play an important role in the pathogenesis of diabetes mellitus (DM) complications, neurodegenerations, and age-related diseases. A model to predict antiglycation activity can reduce the costs and increase the productivity and quality of preclinical screening studies of new compounds. Azolo[5,1-c][1,2,4]triazines and azolo[1,5-a]pyrimidines are well known as biologically active compounds, which additionally have antiglycation properties. A number of 4-hydroxy-4H-azolo-1,4-dihydro[5.1-c]-1,2,4-triazines were selected for designing a prediction model. Azolotriazine derivatives were found to exert an antiglycation effect, inhibiting glycation of bovine serum albumin (BSA) with glucose and specific END fluorescence with equal or greater efficiency as compared with aminoguanidine. The activity range at 1000 mu M was estimated at 23.0-71.6% for variously substituted derivatives (30.3 +/- 1.2% for aminoguanidine). The highest activity was observed for 4-hydroxy-3-cyano-1,4-dihydro-1,2,4-triazolo[5.1-c]1,2,4-triazine. In all but one compound (aminoguanidine), antiglycation activity correlated with the energy difference increment ((HOMO – LUMO)) between the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO); the difference was established by a PM3 semiempirical method. Artificial neural network modeling was used to develop a mathematical model that describes the dependence of antiglycation activity on the calculated energies. The E-LUMO and increment ((HOMO – LUMO)) energies were found to make the largest contribution to the activity. The model can be used to predict antiglycation activity.

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Reference:
Pyrimidine | C4H4N2 – PubChem,
,Pyrimidine – Wikipedia

Application of 3051-09-0, Enzymes are biological catalysts that produce large increases in reaction rates and tend to be specific for certain reactants and products. 3051-09-0, Name is Murexide, SMILES is O=C1[N-]C(/C(C(N1)=O)=N/C(C(N2)=O)C(NC2=O)=O)=O.[NH4+], belongs to pyrimidines compound. In a article, author is Nishimura, Kazuki, introduce new discover of the category.

Seasonal Differences in the UVA/UVB Ratio of Natural Sunlight Influence the Efficiency of the Photoisomerization of (6-4) Photoproducts into their Dewar Valence Isomers

The UVA and UVB components of sunlight can produce three classes of bipyrimidine DNA photolesions [cyclobutane pyrimidine dimers (CPDs), pyrimidine (6-4) pyrimidone photoproducts (6-4PPs) and related Dewar valence isomers (DewarPPs)]. The UVA/UVB ratio of sunlight is high in winter and low in summer in the Northern Hemisphere. Since UVB radiation produces 6-4PPs and UVA radiation converts them into DewarPPs through photoisomerization, it is expected that there may be differences in the photoisomerization of 6-4PPs between summer and winter, although that has never been documented. To determine that, isolated DNA was exposed to natural sunlight for 8 h in late summer and in winter, and absolute levels of the three classes of photolesions were quantified using calibrated ELISAs. It was found that sunlight produces CPDs and 6-4PPs in DNA at a ratio of about 9:1 and converts approximately 80% of 6-4PPs into DewarPPs within 3 h. Moreover, photoisomerization is more efficient in winter than in late summer after sunlight irradiation for the same duration, at similar solar UV doses and with the same induction level of CPDs. These results demonstrate that seasonal differences in the UVA/UVB ratio influence the efficiency of the photoisomerization of 6-4PPs into DewarPPs.

Application of 3051-09-0, Enzymes are biological catalysts that produce large increases in reaction rates and tend to be specific for certain reactants and products. I hope my blog about 3051-09-0 is helpful to your research.

Reference:
Pyrimidine | C4H4N2 – PubChem,
,Pyrimidine – Wikipedia

Reference of 3051-09-0, As an important bridge between the micro and macro material world, chemistry is one of the main methods and means for humans to understand and transform the material world. 3051-09-0, Name is Murexide, SMILES is O=C1[N-]C(/C(C(N1)=O)=N/C(C(N2)=O)C(NC2=O)=O)=O.[NH4+], belongs to pyrimidines compound. In a article, author is Wang, Zhenghua, introduce new discover of the category.

Synthesis and biological evaluation of all possible inosine-mixed cyclic dinucleotides that activate different hSTING variants

Cyclic dinucleotides (CDNs) could activate stimulator of interferon genes (STING) protein to produce type I interferon and other pro-inflammation cytokines in mammalian cells. To explore new types of potentially efficient STING activators targeting all five major hSTING variants (WT, R232H, HAQ, AQ and R293Q), we here reported the synthesis of a total of 19 inosine-containing CDNs based on the combinations of hypoxanthine with four natural bases (A, G, C and U) and three phosphodiester linkage backbones (3 ‘-3 ‘, 2 ‘-3 ‘, 2 ‘-2 ‘). The IFN-beta induction results showed that all of the 2 ‘-3 ‘ and 2 ‘-2 ‘ CDNs linked by inosine and purine nucleosides favored the stacking interaction with Y167 and R238 residues of hSTING protein, and several CDNs constructed by hypoxanthine and pyrimidine like c[I(2 ‘,5 ‘)U(2 ‘,5 ‘)] could also activate all five hSTING variants. The molecular dynamic simulation and the isothermal titration calorimetric (ITC) assay further demonstrated the potential of cAIMP isomers with 2 ‘-5 ‘ phosphate to form the hydrogen binding with R232 and R238 residues of hSTING in an entropically driven manner compared to cGAMP isomers. It would be promising to exploit novel inosine-mixed CDNs as activators of hSTING variants in immune therapy.

Reference of 3051-09-0, Because enzymes can increase reaction rates by enormous factors and tend to be very specific, typically producing only a single product in quantitative yield, they are the focus of active research.you can also check out more blogs about 3051-09-0.

Reference:
Pyrimidine | C4H4N2 – PubChem,
,Pyrimidine – Wikipedia

Application of 3051-09-0, The transformation of simple hydrocarbons into more complex and valuable products via catalytic C¨CH bond functionalisation has revolutionised modern synthetic chemistry. 3051-09-0, Name is Murexide, SMILES is O=C1[N-]C(/C(C(N1)=O)=N/C(C(N2)=O)C(NC2=O)=O)=O.[NH4+], belongs to pyrimidines compound. In a article, author is Wolff, Philippe, introduce new discover of the category.

Comparative patterns of modified nucleotides in individual tRNA species from a mesophilic and two thermophilic archaea

To improve and complete our knowledge of archaeal tRNA modification patterns, we have identified and compared the modification pattern (type and location) in tRNAs of three very different archaeal species, Methanococcus maripaludis (a mesophilic methanogen), Pyrococcus furiosus (a hyperthermophile thermococcale), and Sulfolobus acidocaldarius (an acidophilic thermophilic sulfolobale). Most abundant isoacceptor tRNAs (79 in total) for each of the 20 amino acids were isolated by two-dimensional gel electrophoresis followed by in-gel RNase digestions. The resulting oligonucleotide fragments were separated by nanoLC and their nucleotide content analyzed by mass spectrometry (MS/MS). Analysis of total modified nucleosides obtained from complete digestion of bulk tRNAs was also performed. Distinct base- and/or ribose-methylations, cytidine acetylations, and thiolated pyrimidines were identified, some at new positions in tRNAs. Novel, some tentatively identified, modifications were also found. The least diversified modification landscape is observed in the mesophilic Methanococcus maripaludis and the most complex one in Sulfolobus acidocaldarius. Notable observations are the frequent occurrence of ac(4)C nucleotides in thermophilic archaeal tRNAs, the presence of m(7)G at positions 1 and 10 in Pyrococcus furiosus tRNAs, and the use of wyosine derivatives at position 37 of tRNAs, especially those decoding U1- and C1-starting codons. These results complete those already obtained by others with sets of archaeal tRNAs from Methanocaldococcus jannaschii and Haloferax volcanii.

Application of 3051-09-0, 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 3051-09-0.

Reference:
Pyrimidine | C4H4N2 – PubChem,
,Pyrimidine – Wikipedia

In an article, author is Babushkina, A. A., once mentioned the application of 3051-09-0, Name: Murexide, Name is Murexide, molecular formula is C8H8N6O6, molecular weight is 284.1857, MDL number is MFCD00012777, category is pyrimidines. Now introduce a scientific discovery about this category.

Synthesis and Functionalization of 5-Alkyl-6-methyl-2-thiouracils

A number of 5-alkyl-6-methyl-2-thiouracils were obtained, the further introduction of which into the reaction with dialkyl chloroethynylphosphonates afforded a series of new dialkyl (6-alkyl-5-oxo-7-methyl-5H-thiazolo[3,2-a]pyrimidin- 3-yl)phosphonates.

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Reference:
Pyrimidine | C4H4N2 – PubChem,
,Pyrimidine – Wikipedia

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 Chai, Yingying, once mentioned the application of 3051-09-0, Name is Murexide, molecular formula is C8H8N6O6, molecular weight is 284.1857, MDL number is MFCD00012777, category is pyrimidines. Now introduce a scientific discovery about this category, Computed Properties of C8H8N6O6.

The 2-Amino Group of 8-Aza-7-deaza-7-bromopurine-2,6-diamine and Purine-2,6-diamine as Stabilizer for the Adenine-Thymine Base Pair in Heterochiral DNA with Strands in Anomeric Configuration

Stabilization of DNA is beneficial for many applications in the fields of DNA therapeutics, diagnostics, and materials science. Now, this phenomenon is studied on heterochiral DNA, an autonomous DNA recognition system with complementary strands in alpha-D and beta-D configuration showing parallel strand orientation. The 12-mer heterochiral duplexes were constructed from anomeric (alpha/beta-D) oligonucleotide single-strands. Purine-2,6-diamine and 8-aza-7-deaza-7-bromopurine-2,6-diamine 2 ‘-deoxyribonucleosides having the capability to form tridentate base pairs with dT were used to strengthen the stability of the dA-dT base pair. T-m data and thermodynamic values obtained from UV melting profiles indicated that the 8-aza-7-deaza 2 ‘-deoxyribonucleoside decorated with a bromo substituent is so far the most efficient stabilizer for heterochiral DNA. Compared with that, the stabilizing effect of the purine-2,6-diamine 2 ‘-deoxyribonucleoside is low. Global changes of helix structures were identified by circular dichroism (CD) spectra during melting.

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Reference:
Pyrimidine | C4H4N2 – PubChem,
,Pyrimidine – Wikipedia

Chemistry is the experimental and theoretical study of materials on their properties at both the macroscopic and microscopic levels. 3051-09-0, Name is Murexide, molecular formula is C8H8N6O6. In an article, author is Olson, Kirk L.,once mentioned of 3051-09-0, Recommanded Product: Murexide.

Novel amide and imidazole compounds as potent hematopoietic prostaglandin D-2 synthase inhibitors

In seeking novel and potent small molecule hematopoietic prostaglandin D-2 synthase (H-PGDS) inhibitors as potential therapies for PGD(2)-mediated diseases and conditions, we explored a series comprising multiple aryl/heteroaryl rings attached in a linear arrangement. Each compound incorporates an amide or imidazole linker between the pyrimidine or pyridine core ring and the tail ring system. We synthesized and screened twenty analogs by fluorescence polarization binding assay, thermal shift assay, glutathione S-transferase inhibition assay, and a cell-based assay measuring suppression of LPS-induced PGD(2) stimulation. Amide analogs show ten-fold greater shift in the thermal shift assay in the presence of glutathione (GSH) versus the same assay run in the absence of GSH. The imidazole analogs did not produce a significant change in thermal shift between the two assay conditions, suggesting a possible stabilization effect of the amide linker in the synthase-GSH-inhibitor complex. Imidazole analog 23, (KMN-010034) demonstrates superior potency across the in vitro assays and good in vitro metabolic stability in both human and guinea pig liver microsomes.

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Reference:
Pyrimidine | C4H4N2 – PubChem,
,Pyrimidine – Wikipedia