Tag: M.W:200-300

Chemistry, like all the natural sciences, Quality Control of 4,6-Dichloro-5-nitro-2-(propylthio)pyrimidine, begins with the direct observation of nature— in this case, of matter.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 document, author is Vos, Eva, introduce the new discover.

Intrastrand Photolesion Formation in Thio-Substituted DNA: A Case Study Including Single-Reference and Multireference Methods

The substitution of canonical nucleobases by thiated analogues in natural DNA has been exploited in pharmacology, photochemotherapy, and structural biology. Thionucleobases react with adjacent thymines leading to 6-4 pyrimidine-pyrimidone photoproducts (6-4PPs), which are a major source of DNA photodamage, in particular intrastrand cross-linked photolesions. Her; we study the mechanism responsible for the formation of 6-4PPs in thionucleobases by employing quantum-mechanical calculations. We use multiconfiguration pair-density functional theory, complete active space second-order perturbation theory, and Kohn-Sham density functional theory. Scrutinizing the photochemistry of thionucleobases can elucidate the reaction mechanism of these prodrugs and identify the role that triplet excited states play in the generation of photolesions in the natural biopolymer. Three different possible mechanisms to generate the 6-4PPs are presented, and we conclude that the use of multireference approaches is indispensable to capture important features of the potential energy surface.

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 145783-14-8. Quality Control of 4,6-Dichloro-5-nitro-2-(propylthio)pyrimidine.

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

799557-86-1, Name is 5-Bromo-2-(trifluoromethyl)pyrimidine, molecular formula is C5H2BrF3N2, belongs to pyrimidines compound, is a common compound. In a patnet, author is Zhang, Yongjie, once mentioned the new application about 799557-86-1, Recommanded Product: 799557-86-1.

Pyrazolo[1,5-a]pyrimidine based Trk inhibitors: Design, synthesis, biological activity evaluation

Tropomyosin receptor kinases (Trks), a transmembrane receptor tyrosine kinases, have attracted more and more attention as a drug target. Here we reported the structure-based synthesis and biological evaluation of novel pyrazolo[1,5-a]pyrimidine derivatives as Trk inhibitors, which exhibited potent Trk inhibitory activities. Particularly, compounds 8a, 8f, 9a, 9b and 9f (IC50 < 5 nM) showed significant inhibitory potency against Trk. If you’re interested in learning more about 799557-86-1. The above is the message from the blog manager. Recommanded Product: 799557-86-1.

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

Related Products of 123148-78-7, The transformation of simple hydrocarbons into more complex and valuable products via catalytic C–H bond functionalisation has revolutionised modern synthetic chemistry. 123148-78-7, Name is 4-Chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine, SMILES is ClC1=NC=NC2=C1C(=C[NH]2)I, belongs to pyrimidines compound. In a article, author is Osakunor, Derick N. M., introduce new discover of the category.

Schistosoma haematobium infection is associated with alterations in energy and purine-related metabolism in preschool-aged children

Author summary Schistosomiasis is a parasitic disease caused by helminth worms called schistosomes, and millions of people worldwide are infected. Studies in animal models indicate that the infection can cause alterations in metabolism of the host, leading to the observed clinical manifestations of the disease. However, there are limited human studies on the impact of schistosome infection on host metabolism, and none describing the changes that occur early in infection. There are also no studies relating to the species Schistosoma haematobium, which causes disease manifested in both the urinary and genital organs. To address this, we analysed the metabolic changes in response to the first S. haematobium infection and treatment in Zimbabwean preschool-aged children. We determined for the first time, that within three months of first infection, there are significant changes in metabolite profiles related to host energy (G6P, 3-PG, AMP, ADP) and purine (AMP, ADP) metabolism. These changes were associated with infection burden and were resolved within three months, following curative treatment. Our findings provide further understanding into the early host metabolic responses to the infection, consistent with clinical manifestations such as malnutrition, poor growth and poor physical and cognitive performance observed in schistosome-infected children. This demonstrates the need for early treatment of the infection, and will inform the development of appropriate interventions such as nutraceuticals in child feeding programs, aimed at reducing disease consequences. Further mechanistic studies will contribute to more understanding of the relationship between metabolic alterations and schistosomiasis in young children. Helminths are parasitic worms that infect over a billion people worldwide. The pathological consequences from infection are due in part, to parasite-induced changes in host metabolic pathways. Here, we analyse the changes in host metabolic profiles, in response to the first Schistosoma haematobium infection and treatment in Zimbabwean children. A cohort of 83 schistosome-negative children (2-5 years old) as determined by parasitological examination, guardian interviews and examination of medical records, was recruited at baseline. Children were followed up after three months for parasitological diagnosis of their first S. haematobium infection, by detection of parasite eggs excreted in urine. Children positive for infection were treated with the antihelminthic drug praziquantel, and treatment efficacy checked three months after treatment. Blood samples were taken at each time point, and capillary electrophoresis mass spectrometry in conjunction with multivariate analysis were used to compare the change in serum metabolite profiles in schistosome-infected versus uninfected children. Following baseline at the three-month follow up, 11 children had become infected with S. haematobium (incidence = 13.3%). Our results showed that infection with S. haematobium was associated with significant increases (>2-fold) in discriminatory metabolites, linked primarily with energy (G6P, 3-PG, AMP, ADP) and purine (AMP, ADP) metabolism. These observed changes were commensurate with schistosome infection intensity, and levels of the affected metabolites were reduced following treatment, albeit not significantly. This study demonstrates that early infection with S. haematobium is associated with alterations in host energy and purine metabolism. Taken together, these changes are consistent with parasite-related clinical manifestations of malnutrition, poor growth and poor physical and cognitive performance observed in schistosome-infected children.

Related Products of 123148-78-7, Consequently, the presence of a catalyst will permit a system to reach equilibrium more quickly, but it has no effect on the position of the equilibrium as reflected in the value of its equilibrium constant.I hope my blog about 123148-78-7 is helpful to your research.

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

Electric Literature of 123148-78-7, Enzymes are biological catalysts that produce large increases in reaction rates and tend to be specific for certain reactants and products. 123148-78-7, Name is 4-Chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine, SMILES is ClC1=NC=NC2=C1C(=C[NH]2)I, belongs to pyrimidines compound. In a article, author is Li, Wei-Ya, introduce new discover of the category.

Scaffold-based selective SHP2 inhibitors design using core hopping, molecular docking, biological evaluation and molecular simulation

PTPN11 (coding the gene of SHP2), a classic non-receptor protein tyrosine phosphatase, is implicated in multiple cell signaling pathway. Abnormal activation of SHP2 has been shown to contribute to a variety of human diseases, including Juvenile myelomonocytic leukemia (JMML), Noonan syndrome and tumors. Thus, the SHP2 inhibitors have important therapeutic value. Here, based on the compound PubChem CID 8,478,960 (IC50 = 45.01 mu M), a series of thiophene [2,3-d] pyrimidine derivatives (IC50 = 0.4-37.87 mu M) were discovered as novel and efficient inhibitors of SHP2 through powerful core hopping and CDOCKER technology. Furthermore, the SHP2-PTP phosphatase activity assay indicated that Comp#5 (IC50 = 0.4 mu M) was the most active SHP2 inhibitor. Subsequently, the effects of Comp#5 on the structure and function of SHP2 were investigated through molecular dynamics (MD) simulation and post-kinetic analysis. The result indicated that Comp#5 enhanced the interaction of residues THR357, ARG362, LYS366, PRO424, CYS459, SER460, ALA461, ILE463, ARG465, THR507 and GLN510 with the surrounding residues, improving the stability of the catalytic active region and the entrance of catalytic active region. In particular, the Comp#5 conjugated with residue ARG362, elevating the efficient and selectivity of SHP2 protein. The study here may pave the way for discovering the novel SHP2 inhibitors for suffering cancer patients.

Electric Literature of 123148-78-7, 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 123148-78-7.

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

Related Products of 123148-78-7, 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. 123148-78-7, Name is 4-Chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine, SMILES is ClC1=NC=NC2=C1C(=C[NH]2)I, belongs to pyrimidines compound. In a article, author is Bibi, Maria, introduce new discover of the category.

Exploring the ability of dihydropyrimidine-5-carboxamide and 5-benzyl-2,4-diaminopyrimidine-based analogues for the selective inhibition of L. major dihydrofolate reductase

To tackle leishmaniasis, search for efficient therapeutic drug targets should be pursued. Dihydrofolate reductase (DHFR) is considered as a key target for the treatment of leishmaniasis. In current study, we are interested in the design and synthesis of selective antifolates targeting DHFR from L. major. We focused on the development of new antifolates based on 3,4-dihydropyrimidine-2-one and 5-(3,5-dimethoxybenzyl)pyrimidine-2,4-diamine motif. Structure activity relationship (SAR) studies were performed on 4-phenyl ring of dihydropyrimidine (26-30) template. While for 5-(3,5-dimethoxybenzyl) pyrimidine-2,4-diamine, the impact of different amino acids (valine, tryptophan, phenylalanine, and glutamic acid) and two carbon linkers were explored (52-59). The synthesized compounds were assayed against LmDHFR. Compound 59 with the IC50 value of 0.10 mu M appeared as potent inhibitors of L. major. Selectivity for parasite DHFR over human DHFR was also determined. Derivatives 55-59 demonstrated excellent selectivity for LmDHFR. Highest selectivity for LmDHFR was shown by compounds 56 (SI = 84.5) and 58 (SI = 87.5). Compounds Antileishmanial activity against L. major and L. donovani promastigotes was also performed. To explore the interaction pattern of the synthesized compounds with biological macromolecules, the docking studies were carried out against homology modelled LmDHFR and hDHFR targets. (C) 2020 Elsevier Masson SAS. All rights reserved.

Related Products of 123148-78-7, 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 123148-78-7.

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

Chemistry is an experimental science, and the best way to enjoy it and learn about it is performing experiments.Introducing a new discovery about 145783-14-8, Name is 4,6-Dichloro-5-nitro-2-(propylthio)pyrimidine, molecular formula is , belongs to pyrimidines compound. In a document, author is Martens, M. C., Category: pyrimidines.

Genetically caused UV sensitivity Photocarcinogenesis and UV protection in children

Background. Exposure of skin to ultraviolet (UV) radiation can cause DNA damage. An intact nucleotide excision repair (NER) system usually prevents the formation of DNA mutations as a consequence of such lesions; however, defects in the NER system are the cause of a variety of rare genetic syndromes. Objective. Overview of the current understanding of photocarcinogenesis and how defects in the NER system increase the risk of skin cancer. Furthermore, a brief review of the diagnostics and treatment of xeroderma pigmentosum (XP) as well as UV protection is provided. Material and methods. A literature search was performed to summarize the current knowledge on photocarcinogenesis, NER defect syndromes and UV protection. Results. Energy transfer from UV radiation to DNA leads to formation of cyclobutane pyrimidine dimers (CPD) and pyrimidine-pyrimidone (6-4) photoproducts (6-4 PP). If not repaired by NER these DNA lesions are transformed into DNA mutations and drive carcinogenesis. Genetic defects in the NER system are the underlying cause of a variety of rare mostly autosomal recessive genetic syndromes, such as the Cockayne syndrome (CS), trichothiodystrophy (TTD), cerebrooculofacioskeletal (COFS) syndrome, UV-sensitive syndrome ((UVS)-S-S), and XP depending on which NER gene is affected. These syndromes are associated with increased UV sensitivity, neurological disorders, and/or increased risk of skin cancer. The first skin changes in XP patients usually occur at the age of 3-5 years and nonmelanoma skin cancer is first diagnosed at a median age of 9 years. Conclusion. Strict UV protection is essential for patients with rare DNA repair defect syndromes, such as XP. The example of XP shows in time-lapse how important UV protection is for all children.

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

151266-23-8, Name is 3-Iodo-1H-pyrazolo[3,4-d]pyrimidin-4-amine, molecular formula is C5H4IN5, Computed Properties of C5H4IN5, belongs to pyrimidines compound, is a common compound. In a patnet, author is Renthlei, Zothanmawii, once mentioned the new application about 151266-23-8.

Autophagy-deficient Arabidopsis mutant atg5, which shows ultraviolet-B sensitivity, cannot remove ultraviolet-B-induced fragmented mitochondria

Mitochondria damaged by ultraviolet-B radiation (UV-B, 280-315 nm) are removed by mitophagy, a selective autophagic process. Recently, we demonstrated that autophagy-deficient Arabidopsis thaliana mutants exhibit a UV-B-sensitive phenotype like that of cyclobutane pyrimidine dimer (CPD)-specific photolyase (PHR1)-deficient mutants. To explore the relationship between UV-B sensitivity and autophagy in UV-B-damaged plants, we monitored mitochondrial dynamics and autophagy in wild-type Arabidopsis (ecotype Columbia); an autophagy-deficient mutant, atg5; a PHR1-deficient mutant, phr1; an atg5 phr1 double mutant; and AtPHR1-overexpressing (AtPHR1ox) plants following high-dose UV-B exposure (1.5 W m(-2) for 1 h). At 10 h after exposure, the number of mitochondria per mesophyll leaf cell was increased and the volumes of individual mitochondria were decreased independently of UV-B-induced CPD accumulation in all genotypes. At 24 h after exposure, the mitochondrial number had recovered or almost recovered to pre-exposure levels in plants with functional autophagy (WT, phr1, and AtPHR1ox), but had increased even further in atg5. This suggested that the high dose of UV-B led to the inactivation and fragmentation of mitochondria, which were removed by mitophagy activated by UV-B. The UV-B-sensitive phenotype of the atg5 phr1 double mutant was more severe than that of atg5 or phr1. In wild-type, phr1, and AtPHR1ox plants, autophagy-related genes were strongly expressed following UV-B exposure independently of UV-B-induced CPD accumulation. Therefore, mitophagy might be one of the important repair mechanisms for UV-B-induced damage. The severe UV-B-sensitive phenotype of atg5 phr1 is likely an additive effect of deficiencies in independent machineries for UV-B protection, autophagy, and CPD photorepair.

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

Chemistry is an experimental science, Recommanded Product: 3-Iodo-1H-pyrazolo[3,4-d]pyrimidin-4-amine, and the best way to enjoy it and learn about it is performing experiments.Introducing a new discovery about 151266-23-8, Name is 3-Iodo-1H-pyrazolo[3,4-d]pyrimidin-4-amine, molecular formula is C5H4IN5, belongs to pyrimidines compound. In a document, author is Xu, Chenhao.

Novel [1,2,3]triazolo[4,5-d]pyrimidine derivatives containing hydrazone fragment as potent and selective anticancer agents

In this paper, based on molecular hybridization, a series of [1,2,3]triazolo[4,5-d]pyrimidine derivatives containing hydrazine was synthesized and their antiproliferative activities against 5 cancer cell lines (MGC-803, PC3, PC9, EC9706 and SMMC-7721) were evaluated. We found that most of them exhibited obvious growth inhibition effects on these tested cancer cells, especially compound 34 on PC3 cells (IC50 = 26.25 +/- 0.28 nM). Meanwhile, compound 34 displayed best selectivity on PC3, compared with the other cancer cell lines, as well as excellent selectivity towards normal cell lines (Het-1A, L02 and GES-1). Further investigations demonstrated that 34 could significantly inhibit PC3 cells’ colony formation, increase cellular ROS content, suppress EGFR expression and induce apoptosis. Our findings indicate that 34 may serve as a novel lead compound for the discovery of more triazolopyrimidine derivatives with improved anticancer potency and selectivity.

Sometimes chemists are able to propose two or more mechanisms that are consistent with the available data. If a proposed mechanism predicts the wrong experimental rate law, however, the mechanism must be incorrect.Welcome to check out more blogs about 151266-23-8, in my other articles. Recommanded Product: 3-Iodo-1H-pyrazolo[3,4-d]pyrimidin-4-amine.

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

In an article, author is Kim, Taewoo, once mentioned the application of 145783-14-8, Computed Properties of C7H7Cl2N3O2S, Name is 4,6-Dichloro-5-nitro-2-(propylthio)pyrimidine, molecular formula is C7H7Cl2N3O2S, molecular weight is 268.12, MDL number is MFCD10698669, category is pyrimidines. Now introduce a scientific discovery about this category.

Design of Anticancer 2,4-Diaminopyrimidines as Novel Anoctamin 1 (ANO1) Ion Channel Blockers

Pyrimidine is a privileged scaffold in many synthetic compounds exhibiting diverse pharmacological activities, and is used for therapeutic applications in a broad spectrum of human diseases. In this study, we prepared a small set of pyrimidine libraries based on the structure of two hit compounds that were identified through the screening of an in-house library in order to identify an inhibitor of anoctamin 1 (ANO1). ANO1 is amplified in various types of human malignant tumors, such as head and neck, parathyroid, and gastrointestinal stromal tumors, as well as in breast, lung, and prostate cancers. After initial screening and further structure optimization, we identified Aa3 as a dose-dependent ANO1 blocker. This compound exhibited more potent anti-cancer activity in the NCI-H460 cell line, expressing high levels of ANO1 compared with that in A549 cells that express low levels of ANO1. Our results open a new direction for the development of small-molecule ANO1 blockers composed of a pyrimidine scaffold and a nitrogen-containing heterocyclic moiety, with drug-like properties.

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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 Sinditskii, Valery P., once mentioned the application of 151266-23-8, Name is 3-Iodo-1H-pyrazolo[3,4-d]pyrimidin-4-amine, molecular formula is C5H4IN5, molecular weight is 261.02, MDL number is MFCD03787931, category is pyrimidines. Now introduce a scientific discovery about this category, Category: pyrimidines.

Thermal Decomposition of 1,3,5,5-Tetranitrohexahydro-Pyrimidine: A New Type of Autocatalysis that Persists at High Temperatures

The thermal stability of 1,3,5,5- tetranitrohexahydropyrimidine (TNDA) in liquid phase under isothermal conditions was studied. It was established that the TNDA decomposition (k(liq)=3.1 . 10(21).exp(-26865/T), E-a=223.4 kJ mol(-1)) is accompanied by strong autocatalysis (k(cat)=9.8 . 10(14).exp(-18056/T), E-a=150.2 kJ mol(-1)). The mechanism of autocatalysis was proposed. The essence of autocatalysis is the oxidation of TNDA by decomposition products, followed by the destruction of the molecule. An unusual feature of this autocatalysis is that, in contrast to autocatalysis of nitroesters, the process does not disappear at high temperatures, but rather determines the kinetics of heat release in the combustion wave. The surface temperature and combustion mechanism of TNDA were established through thermocouple studies. It was shown that the autocatalysis reaction at the surface temperature controls the burning rate.

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