Day: March 23, 2021

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: C17H20N4O2, 139756-21-1, Name is 5-(2-Ethoxyphenyl)-1-methyl-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one, SMILES is O=C1C(N(C)N=C2CCC)=C2N=C(C3=CC=CC=C3OCC)N1, belongs to pyrimidines compound. In a document, author is Halim, Karema N. M., introduce the new discover.

Straightforward synthesis, antiproliferative screening, and density functional theory study of some pyrazolylpyrimidine derivatives

Tetrahydropyrimidinone derivative was synthesized through one-pot three components condensation of 1,3-diphenylpyrazole-4-carbaldehyde with pentan-2,4-dione and urea under Biginelli reaction conditions. The corresponding chloro- and hydrazino derivatives were synthesized and utilized for the construction of some valuable N-heterocycles encompassing both pyrazole and pyrimidine cores, such as triazolopyrimidine, tetrazolopyrimidine, pyrazole, and pyrazolone derivatives through condensation with nitrogen nucleophiles and carbon electrophiles. The antiproliferative activity evaluation of the synthesized compounds against four human carcinoma cell lines namely, liver carcinoma (HepG2), breast adenocarcinoma (MCF7), prostate cancer (PC3), and colon cancer (HCT-116) cell lines revealed that some of them provided significant potency, as well as the density-functional theory (DFT) was studied. The permeability of various hydrophilic and hydrophobic synthesized compounds across both normal and cancer cells is confirmed via DFT simulation in which the much higher permeability through aquaporin channels revealed the selective cytotoxicity toward cancer cells.

The proportionality constant is the rate constant for the particular unimolecular reaction. the reaction rate is directly proportional to the concentration of the reactant. I hope my blog about 139756-21-1 is helpful to your research. Formula: C17H20N4O2.

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

In an article, author is Kampers, Linde F. C., once mentioned the application of 626-48-2, Quality Control of 6-Methylpyrimidine-2,4(1H,3H)-dione, Name is 6-Methylpyrimidine-2,4(1H,3H)-dione, molecular formula is C5H6N2O2, molecular weight is 126.11, MDL number is MFCD00006028, category is pyrimidines. Now introduce a scientific discovery about this category.

A metabolic and physiological design study of Pseudomonas putida KT2440 capable of anaerobic respiration

Background: Pseudomonas putida KT2440 is a metabolically versatile, HV1-certified, genetically accessible, and thus interesting microbial chassis for biotechnological applications. However, its obligate aerobic nature hampers production of oxygen sensitive products and drives up costs in large scale fermentation. The inability to perform anaerobic fermentation has been attributed to insufficient ATP production and an inability to produce pyrimidines under these conditions. Addressing these bottlenecks enabled growth under micro-oxic conditions but does not lead to growth or survival under anoxic conditions. Results: Here, a data-driven approach was used to develop a rational design for a P. putida KT2440 derivative strain capable of anaerobic respiration. To come to the design, data derived from a genome comparison of 1628 Pseudomonas strains was combined with genome-scale metabolic modelling simulations and a transcriptome dataset of 47 samples representing 14 environmental conditions from the facultative anaerobe Pseudomonas aeruginosa. Conclusions: The results indicate that the implementation of anaerobic respiration in P. putida KT2440 would require at least 49 additional genes of known function, at least 8 genes encoding proteins of unknown function, and 3 externally added vitamins.

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

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, 799557-86-1, Name is 5-Bromo-2-(trifluoromethyl)pyrimidine, SMILES is BrC1=CN=C(N=C1)C(F)(F)F, in an article , author is Kant, Melis, once mentioned of 799557-86-1, SDS of cas: 799557-86-1.

Inhibition by Tetrahydroquinoline Sulfonamide Derivatives of the Activity of Human 8-Oxoguanine DNA Glycosylase (OGG1) for Several Products of Oxidatively induced DNA Base Lesions

DNA glycosylases involved in the first step of the DNA base excision repair pathway are promising targets in cancer therapy. There is evidence that reduction of their activities may enhance cell killing in malignant tumors. Recently, two tetrahydroquinoline compounds named SU0268 and SU0383 were reported to inhibit OGG1 for the excision of 8-hydroxyguanine. This DNA repair protein is one of the major cellular enzymes responsible for excision of a number of oxidatively induced lesions from DNA. In this work, we used gas chromatography-tandem mass spectrometry with isotope-dilution to measure the excision of not only 8-hydroxyguanine but also that of the other major substrate of OGG1, i.e., 2,6-diamino-4-hydroxy-5-formamidopyrimidine, using genomic DNA with multiple purine- and pyrimidine-derived lesions. The excision of a minor substrate 4,6-diamino-5-formamidopyrimidine was also measured. Both SU0268 and SU0383 efficiently inhibited OGG1 activity for these three lesions, with the former being more potent than the latter. Dependence of inhibition on concentrations of SU0268 and SU0383 from 0.05 mu mol/L to 10 mu mol/L was also demonstrated. The approach used in this work may be applied to the investigation of OGG1 inhibition by SU0268 and SU0383 and other small molecule inhibitors in further studies including cellular and animal models of disease.

But sometimes, even after several years of basic chemistry education, it is not easy to form a clear picture on how they govern reactivity! 799557-86-1, you can contact me at any time and look forward to more communication. SDS of cas: 799557-86-1.

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

Electric Literature of 145783-14-8, Children learn through play, and they learn more than adults might expect. Science experiments are a great way to spark their curiosity, 145783-14-8, Name is 4,6-Dichloro-5-nitro-2-(propylthio)pyrimidine, SMILES is CCCSC1=NC(Cl)=C([N+]([O-])=O)C(Cl)=N1, belongs to pyrimidines compound. In a article, author is Menke, Annika, introduce new discover of the category.

Formation of Cisplatin Adducts with the Epigenetically Relevant Nucleobase 5-Methylcytosine

With about 4 % abundance in the genome 5-methylcytosine (5mC) is one of the most important epigenetic modifications. Change in DNA hypermethylation levels has even been linked to resistances to cisplatin treatment of cancer cells. This work aimed at the synthesis and full characterization of 5mC-cisplatin adducts as well as for the examination of possible side-reactions and transformations. We report the first X-ray crystal structure of a cis-[PtCl(5mC)(NH3)(2)]Cl complex and the formation of [PtCl(5mC)(NH3)(2)](+) and [PtCl(5mC)(2)(NH3)](+) with HR-ESI mass spectrometry. Further, we explore complex formation and dynamics using H-1, Pt-195, and DOSY NMR spectroscopy. UV/Vis absorption and EPR spectroscopy also confirmed the formation of trace amounts of paramagnetic Pt-blue species. In the process, a hemiprotonated 5mC dimer, 5mC-5mCH(+), reminiscent of the i-motif in DNA tetramers, was structurally characterized.

Electric Literature of 145783-14-8, 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 145783-14-8.

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. 5399-92-8, Name is 4-Chloro-1H-pyrazolo[3,4-d]pyrimidine, formurla is C5H3ClN4. In a document, author is Devore, Daniel P., introducing its new discovery. Quality Control of 4-Chloro-1H-pyrazolo[3,4-d]pyrimidine.

Interrogating the Interplay between Hydrogen and Halogen Bonding in Graphitic Carbon Nitride Building Blocks

Two graphitic carbon nitride (g-C3N4) molecular building blocks designed for halogen bond driven assembly are evaluated through computational quantum chemistry. Unlike those typically reported in the literature, these g-C3N4-based acceptors each offer three unique sites for halogen bond formation, which when introduced to their donor counterparts, lead to 1:1, 2:1, and 3:1 donor-acceptor complexes. Although halogen bonding interactions are present in all donor-acceptor complexes considered in the work, intermolecular hydrogen bonding emerges in complexes in which an iodine-based donor is directly involved. The halogen bond complexes identified herein feature linear halogen bonds and supportive intermolecular hydrogen bonds that lead to nearly additive electronic binding energies of up to -9.7 (dimers), -18.6 (trimers), and -26.5 kcal mol 71 (tetramers). Select vibrational stretching frequencies (vC-x and v(C C)), and the perturbative shifts they incur upon halogen bond formation, are interrogated and compared to those observed in pyridine- and pyrimidine-based halogen-bonded complexes reported in the literature.

I hope this article can help some friends in scientific research. I am very proud of our efforts over the past few months and hope to 5399-92-8 help many people in the next few years. Quality Control of 4-Chloro-1H-pyrazolo[3,4-d]pyrimidine.

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

Application of 145783-14-8, Enzymes are biological catalysts that produce large increases in reaction rates and tend to be specific for certain reactants and products. 145783-14-8, Name is 4,6-Dichloro-5-nitro-2-(propylthio)pyrimidine, SMILES is CCCSC1=NC(Cl)=C([N+]([O-])=O)C(Cl)=N1, belongs to pyrimidines compound. In a article, author is Gungor, Tugba, introduce new discover of the category.

Prodrugs for nitroreductase based cancer therapy-4: Towards prostate cancer targeting: Synthesis of N-heterocyclic nitro prodrugs, Ssap-NtrB enzymatic activation and anticancer evaluation

In this study, various N-heterocyclic nitro prodrugs (NHN1-16) containing pyrimidine, triazine and piperazine rings were designed and synthesized. The final compounds were identified using FT-IR, H-1 NMR, C-13 NMR as well as elemental analyses. Enzymatic activities of compounds were conducted by using HPLC analysis to investigate the interaction of substrates with Ssap-NtrB nitroreductase enzyme. MTT assay was performed to evaluate the toxic effect of compounds against Hep3B and PC3 cancer cell lines and healthy HUVEC cell. It was observed that synthesized compounds NHN1-16 exhibited different cytotoxic profiles. Pyrimidine derivative NHN3 and triazine derivative NHN5 can be good drug candidates for prostate cancer with IC50 values of 54.75 mu M and 48.9 mu M, respectively. Compounds NHN6, NHN10, NHN12, NHN14 and NHN16 were selected as prodrug candidates because of non-toxic properties against three different cell models. The NHN prodrugs and Ssap-NtrB combinations were applied to SRB assay to reveal the prodrug capabilities of these selected compounds. SRB screening results showed that the metabolites of all selected non-toxic compounds showed remarkable cytotoxicity with IC50 values in the range of 1.71-4.72 nM on prostate cancer. Among the tested compounds, especially piperazine derivatives NHN12 and NHN14 showed significant toxic effect with IC50 values of 1.75 nM and 1.79 nM against PC3 cell compared with standart prodrug CB1954 (IC50: 1.71 nM). Novel compounds NHN12 and NHN14 can be considered as promising prodrug candidates for nitroreductase-prodrug based prostate cancer therapy.

Application of 145783-14-8, 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 145783-14-8.

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

Children learn through play, and they learn more than adults might expect. Science experiments are a great way to spark their curiosity, Safety of 2-Chloro-5-hydroxypyrimidine4983-28-2, Name is 2-Chloro-5-hydroxypyrimidine, SMILES is ClC1=NC=C(C=N1)O, belongs to pyrimidines compound. In a article, author is Piccinni, Viviana, introduce new discover of the category.

Multiscale Conformational Sampling Reveals Excited-State Locality in DNA Self-Repair Mechanism

Ultraviolet (UV) irradiation is known to be responsible for DNA damage. However, experimental studies in DNA oligonucleotides have shown that UV light can also induce sequence-specific self-repair. Following charge transfer from a guanine adenine sequence adjacent to a cyclobutane pyrimidine dimer (CPD), the covalent bond between the two thymines could be cleaved, recovering the intact base sequence. Mechanistic details promoting the self-repair remained unclear, however. In our theoretical study, we investigated whether optical excitation could directly lead to a charge-transfer state, thereby initiating the repair, or whether the initial excited state remains localized on a single nucleobase. We performed conformational sampling of 200 geometries of the damaged DNA double strand solvated in water and used a hybrid quantum and molecular mechanics approach to compute excited states at the complete active space perturbation level of theory. Analysis of the conformational data set clearly revealed that the excited-state properties are uniformly distributed across the fluctuations of the nucleotide in its natural environment. From the electronic wavefunction, we learned that the electronic transitions remained predominantly local on either adenine or guanine, and no direct charge transfer occurred in the experimentally accessed energy range. The investigated base sequence is not only specific to the CPD repair mechanism but ubiquitously occurs in nucleic acids. Our results therefore give a very general insight into the charge locality of UV-excited DNA, a property that is regarded to have determining relevance in the structural consequences following absorption of UV photons.

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 4983-28-2. Safety of 2-Chloro-5-hydroxypyrimidine.

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

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, 65-71-4, Name is 5-Methylpyrimidine-2,4(1H,3H)-dione, SMILES is O=C1NC(C(C)=CN1)=O, in an article , author is Painter, Heather J., once mentioned of 65-71-4, HPLC of Formula: C5H6N2O2.

Atypical Molecular Basis for Drug Resistance to Mitochondrial Function Inhibitors in Plasmodium falciparum

The continued emergence of drug-resistant Plasmodium falciparum parasites hinders global attempts to eradicate malaria, emphasizing the need to identify new antimalarial drugs. Attractive targets for chemotherapeutic intervention are the cytochrome (cyt) bc(1) complex, which is an essential component of the mitochondrial electron transport chain (mtETC) required for ubiquinone recycling and mitochondrially localized dihydroorotate dehydrogenase (DHODH) critical for de novo pyrimidine synthesis. Despite the essentiality of this complex, resistance to a novel acridone class of compounds targeting cyt bc(1) was readily attained, resulting in a parasite strain (SB1-A6) that was panresistant to both mtETC and DHODH inhibitors. Here, we describe the molecular mechanism behind the resistance of the SB1-A6 parasite line, which lacks the common cyt bc(1) point mutations characteristic of resistance to mtETC inhibitors. Using Illumina whole-genome sequencing, we have identified both a copy number variation (similar to 2x) and a single-nucleotide polymorphism (C276F) associated with pfdhodh in SB1-A6. We have characterized the role of both genetic lesions by mimicking the copy number variation via episomal expression of pfdhodh and introducing the identified single nucleotide polymorphism (SNP) using CRISPR-Cas9 and assessed their contributions to drug resistance. Although both of these genetic polymorphisms have been previously identified as contributing to both DSM-1 and atovaquone resistance, SB1-A6 represents a unique genotype in which both alterations are present in a single line, suggesting that the combination contributes to the panresistant phenotype. This novel mechanism of resistance to mtETC inhibition has critical implications for the development of future drugs targeting the bc(1) complex or de novo pyrimidine synthesis that could help guide future antimalarial combination therapies and reduce the rapid development of drug resistance in the field.

But sometimes, even after several years of basic chemistry education, it is not easy to form a clear picture on how they govern reactivity! 65-71-4, you can contact me at any time and look forward to more communication. HPLC of Formula: C5H6N2O2.

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

Chemistry is the experimental science by definition. We want to make observations to prove hypothesis. For this purpose, we perform experiments in the lab. , Quality Control of 2-Chloropyrimidine, 1722-12-9, Name is 2-Chloropyrimidine, molecular formula is C4H3ClN2, belongs to pyrimidines compound. In a document, author is Abd El-sattar, Nour E. A., introduce the new discover.

Discovery of pyrano[2,3-d]pyrimidine-2,4-dione derivatives as novel PARP-1 inhibitors: design, synthesis and antitumor activity

Poly(ADP-ribose) polymerases-1 (PARP-1) are involved in DNA repair damage and so PARP-1 inhibitors have been used as potentiators in combination with DNA damaging cytotoxic agents to compromise the cancer cell DNA repair mechanism, resulting in genomic dysfunction and cell death. In this study, we report the synthesis of a novel series of pyrano[2,3-d]pyrimidine-2,4-dione analogues as potential inhibitors against PARP-1. All the newly synthesized compounds were evaluated for their inhibitory activity towards PARP-1 and examined for their anti-proliferative activity against MCF-7 and HCT116 human cancer cell lines. The synthesized compounds showed promising activity where compounds S2 and S7 emerged as the most potent PARP-1 inhibitors with an IC50 value of 4.06 +/- 0.18 and 3.61 +/- 0.15 nM, respectively compared to that of Olaparib 5.77 nM and high cytotoxicity against MCF-7 with IC50 2.65 +/- 0.05 and 1.28 +/- 1.12 mu M, respectively (Staurosporine 7.258 mu M). Compound S8 remarkably showed the highest cell growth inhibition against MCF-7 and HCT116 with an IC50 value of 0.66 +/- 0.05 and 2.76 +/- 0.06 mu M, respectively. Furthermore, molecular docking of the compounds into the PARP-1 active site was performed to explore the probable binding mode. Finally, most of the synthesized compounds were predicted to have good pharmacokinetics properties in a theoretical kinetic study.

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 1722-12-9. Quality Control of 2-Chloropyrimidine.

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

#REF!

A new utility of 1,3,3-tri(1H-indol-3-yl)propan-1-one as a precursor for synthesizing of oxoketene gem-dithiol and 1,2-dithiole-3-thione, using eco-friendly lemon juice as a catalyst

We have synthesized 1,3,3-tri(1H-indol-3-yl)propan-1-one (5) catalyzed by pure citrus lemon juice via direct alkylation reaction of indole (4) with chalcone (3) in an eco-friendly manner. The key synthon, alkylated indole (5) on treatment with carbon disulfide in an alkaline medium afforded the required oxoketene gem-dithiol (6). Treatment of the substrate (6) with some amines afforded pyrimidine derivatives (8) and/or (10). On subjecting oxoketene gem-dithiol (6) to reaction with phosphorus pentasulfide, it afforded 1,2-dithiole-3-thione derivative (11) as a novel synthesized compound. Cycloaddition reactions of 1,2-dithiole-3-thione (11) with quinones, and/or maleic anhydride in different reaction conditions were applied and furnished 2-(1,1,3-tri(1H-indol-3-yl)-3-thioxoprop-an-2-ylidene)-3a,7a-dihydrobenzo[d] [1,3]dithiole-4,7-dione (13); 2-(1,1,3-tri(1H-indol-3-yl)-3-thioxopropan-2-ylidene)dihydro-[1,3]dithiolo[4,5-c]furan-4,6-dione (15); 3-(di (1H-indol-3-yl)methyl)-3-(1H-indole-3-carbonothioyl)-2-thioxo-2,3,3a,7a-tetrahydro- benzo[b]thiophene-4,7-dione (16) and 3-(di(1H-indol-3-yl)methyl)-3-(1H-indole-3-carbono-thioyl)-2-thioxo-2,3,3a,9a-tetrahydronaphtho[2,3-b]thiophene-4,9-dione (18).

If you are hungry for even more, make sure to check my other article about 151266-23-8, Safety of 3-Iodo-1H-pyrazolo[3,4-d]pyrimidin-4-amine.

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