Tag: 100-200

Gackowski, Daniel; Gawronski, Maciej; Kerr, Cassandra; Radivoyevitch, Tomas; Zarakowska, Ewelina; Starczak, Marta; Abakir, Abdulkadir; Ruzov, Alexey; Maciejewski, Jaroslaw P.; Olinski, Ryszard published an article in 2020, the title of the article was Base 5-formylcytosine and 5-hydroxymethyluracil as surrogate markers of TET2 and SF3B1 mutations in myelodysplastic syndrome, respectively.Name: 5-(Hydroxymethyl)pyrimidine-2,4(1H,3H)-dione And the article contains the following content:

TET2 protein has been implicated in 5-hydroxymethyluracil generation to quantify the extent to which TET2 mutations cause deficiencies in TET2 dioxygenase activity. In the present study, the linkage between various TET2 mutations and 5-hydroxymethylcytosine, 5-formylcytosine, 5-carboxycytosine and 5-hydroxymethyluracil, and linkage between these modifications and myeloid neoplastic disease were characterized. We selected patients with a broad range of different types of TET2 alterations and detected in samples from them a broad spectrum of DNA modifications. Levels of DNA markers of TET2 activity obtained using automated two-dimensional ultra-performance liquid chromatog. tandem mass spectrometry with incorporation of stable isotope-labeled internal standards The results reavealed that the best predictor/marker of TET2 mutations in patients with myeloid malignancies was 5-formylcytosine. Receiver operating characteristic (ROC) curves for predicting TET2 mutated vs. wild-type subjects show that a 5-formylcytosine threshold of 0.204 per 106dN yields a sensitivity of 100% and a specificity of 83%. Disruption of SF3B1 in the K562 cell line resulted in G2/M cell cycle arrest. In conclusion, our results suggested that the anal. of 5-formylcytosine and 5-hydroxymethyluracil are warranted as surrogate markers of TET2 and SF3B1 mutations in myelodysplastic syndrome . The experimental process involved the reaction of 5-(Hydroxymethyl)pyrimidine-2,4(1H,3H)-dione(cas: 4433-40-3).Name: 5-(Hydroxymethyl)pyrimidine-2,4(1H,3H)-dione

The Article related to formylcytosine hydroxymethyluracil tet2 sf3b1 mutation myelodysplastic syndrome, Mammalian Pathological Biochemistry: Oncology and other aspects.Name: 5-(Hydroxymethyl)pyrimidine-2,4(1H,3H)-dione

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

On August 7, 2021, Weng, Guorong; Vlcek, VojtEch published an article.Recommanded Product: 65-71-4 The title of the article was Efficient treatment of molecular excitations in the liquid phase environment via stochastic many-body theory. And the article contained the following:

Accurate predictions of charge excitation energies of mols. in the disordered condensed phase are central to the chem. reactivity, stability, and optoelectronic properties of mols. and critically depend on the specific environment. Herein, we develop a stochastic GW method for calculating these charge excitation energies. The approach employs maximally localized electronic states to define the electronic subspace of a mol. and the rest of the system, both of which are randomly sampled. We test the method on three solute-solvent systems: phenol, thymine, and phenylalanine in water. The results are in excellent agreement with the previous high-level calculations and available exptl. data. The stochastic calculations for supercells containing up to 1000 electrons representing the solvated systems are inexpensive and require ≤1000 central processing unit hrs. We find that the coupling with the environment accounts for ∼ 40% of the total correlation energy. The solvent-to-solute feedback mechanism incorporated in the mol. correlation term causes up to 0.6 eV destabilization of the quasiparticle energy. Simulated photoemission spectra exhibit red shifts, state-degeneracy lifting, and lifetime shortening. Our method provides an efficient approach for an accurate study of excitations of large mols. in realistic condensed phase environments. (c) 2021 American Institute of Physics. The experimental process involved the reaction of 5-Methylpyrimidine-2,4(1H,3H)-dione(cas: 65-71-4).Recommanded Product: 65-71-4

The Article related to excitation mol liquid medium stochastic many body gw method, phenol thymine phenylalanine water solvent excitation stochastic gw method, General Physical Chemistry: General Theories and other aspects.Recommanded Product: 65-71-4

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

On September 6, 2019, Li, Xue-Dong; Gao, Yu-Ting; Sun, Ying-Jie; Jin, Xiao-Yang; Wang, Dong; Liu, Li; Cheng, Liang published an article.Recommanded Product: 6-Methylpyrimidine-2,4(1H,3H)-dione The title of the article was A NaI/H2O2-Mediated Sulfenylation and Selenylation of Unprotected Uracil and Its Derivatives. And the article contained the following:

An efficient iodide-catalyzed/hydrogen peroxide mediated sulfenylation and selenylation of unprotected uracil and its derivatives with simple thiols and diselenides was established. This coupling tolerates a broad variety of functional groups to provide diverse 5-sulfur/selenium-substituted uracil derivatives in good to excellent yields (up to 93%). The experimental process involved the reaction of 6-Methylpyrimidine-2,4(1H,3H)-dione(cas: 626-48-2).Recommanded Product: 6-Methylpyrimidine-2,4(1H,3H)-dione

The Article related to sodium iodide hydrogen peroxide sulfenylation selenylation unprotected uracil derivative, General Organic Chemistry: Synthetic Methods and other aspects.Recommanded Product: 6-Methylpyrimidine-2,4(1H,3H)-dione

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

On May 5, 2020, Herl, Thomas; Matysik, Frank-Michael published an article.Electric Literature of 65-71-4 The title of the article was Investigation of the Electrooxidation of Thymine on Screen-Printed Carbon Electrodes by Hyphenation of Electrochemistry and Mass Spectrometry. And the article contained the following:

The electrooxidation of thymine on screen-printed C electrodes was studied using different complementary instrumental approaches. The potential-dependent product profile was obtained by recording real-time mass voltammograms. Electrochem. flow cells with integrated disposable electrodes were directly coupled with mass spectrometry to facilitate a very fast detection of electrogenerated species. Thymine dimers were found at a potential of ∼1.1 V in ammonium acetate (pH 7.0) and 1.25 V in ammonium H carbonate electrolyte (pH 8.0). Electrochem.-capillary electrophoresis-mass spectrometry measurements revealed that two isobaric isomers of a dimeric oxidation product were formed. Separations at different time intervals between end of oxidation and start of separation showed that these were hydrated over time. A study of the pKa values by changing the separation conditions in electrochem.-capillary electrophoresis-UV-visible spectroscopy measurements allowed for further characterization of the primary oxidation products. Both isomers exhibited two deprotonation steps. The oxidation products were further characterized by HPLC-tandem mass spectrometry. Based on the obtained data, the main oxidation products of thymine in aqueous solution could most likely be identified as N(1)-C(5′) and N(1)-C(6′) linked dimer species evolving into the corresponding dimer hydrates over time. The presented methods for online characterization of electrochem. pretreated samples showed that not only mass spectrometric data can be obtained by electrochem.-mass spectrometry but also further characterizations such as the study of product stability and the pH-dependent protonation or deprotonation behavior are possible. This is valid not only for stable oxidation products but also for intermediates, as anal. can be carried out within a short time scale. Thus, a vast amount of valuable exptl. data can be acquired, which can help in understanding electrooxidation processes. The experimental process involved the reaction of 5-Methylpyrimidine-2,4(1H,3H)-dione(cas: 65-71-4).Electric Literature of 65-71-4

The Article related to electrooxidation thymine screen printed carbon electrode electrochem mass spectrometry, Electrochemistry: Electrochemical Cells and Systems and other aspects.Electric Literature of 65-71-4

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

On January 4, 2017, Saji, Hideo; Kimura, Hiroyuki; Matsuda, Hirokazu; Nakanishi, Shuichi published a patent.Related Products of 175357-98-9 The title of the patent was Preparation of pyridopyrimidine derivatives as nuclear medicine diagnostic imaging agents. And the patent contained the following:

Provided is a radioactive labeled compound that can detect a secondary mutation of an epidermal growth factor receptor and which is a compound represented by formula I or a pharmaceutically acceptable salt thereof. Compounds of formula I, wherein L1 is an alkanediyl group having 1 to 5 carbon atoms or an alkenediyl carbonyl group having 3 to 8 carbon atoms; R1 is a radioactive halogen atom, or 5- to 7-membered monocyclic nitrogen-containing heterocycloalkyl that may have one substituent, R2 is a 6- to 8-membered aryl group or nitrogen-containing heteroaryl group with one substituent; R1 or R2 contains a radioactive halogen atom or a radioactive carbon atom (11C), and Y is NH or O; are claimed. Example compound II was prepared by a multistep procedure (preparation given). The invention compounds were evaluated for their tyrosine kinase inhibiting activity (some data given). The experimental process involved the reaction of 4-Chloro-6-fluoropyrido[3,4-d]pyrimidine(cas: 175357-98-9).Related Products of 175357-98-9

The Article related to pyridopyrimidine derivative nuclear medicine imaging agent tyrosine kinase inhibitor, Heterocyclic Compounds (One Hetero Atom): Pyridines and other aspects.Related Products of 175357-98-9

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

On March 31, 2019, Hlusicka, Jiri; Loster, Tomas; Lischkova, Lucie; Vaneckova, Manuela; Diblik, Pavel; Urban, Pavel; Navratil, Tomas; Kacer, Petr; Kacerova, Tereza; Zakharov, Sergey published an article.Product Details of 4433-40-3 The title of the article was Markers of nucleic acids and proteins oxidative damage in acute methanol poisoning. And the article contained the following:

Abstract: The aim of the study is to measure serum concentrations of markers of nucleic acids and proteins oxidative damage in humans to study the dynamics and clin. determinants of oxidative stress caused by acute methanol poisoning. Acute blood serum samples for this study were collected from 28 patients with methanol poisoning and the follow-up samples from 36 survivors of poisoning were collected 2 years after discharge. Serum concentrations of 8-hydroxy-2′-deoxyguanosine (8-OHdG), 8-hydroxyguanosine (8-OHG), 5-(hydroxymethyl)uracil (5-OHMU), ortho-tyrosine (o-Tyr), nitrotyrosine (NO-Tyr), and chlorotyrosine (Cl-Tyr) were measured by liquid chromatog.-electrospray ionization-tandem mass spectrometry. Acute concentrations of 8-OHdG and o-Tyr were significantly higher than the follow-up concentrations (94.4 ± 6.2 vs. 78.0 ± 10.0 pg cm-3; p = 0.009 and 163.0 ± 11.0 vs. 124.0 ± 17.0 pg cm-3; p < 0.001, correspondingly). Survivors of methanol poisoning had higher acute 8-OHdG and 8-OHG concentrations than those who died (97.3 ± 7.4 vs. 50.0 ± 23.0 pg cm-3; p < 0.001 and 97.9 ± 7.2 vs. 83.7 ± 6.7 pg cm-3; p = 0.047). Acute concentrations of 8-OHdG, 8-OHG, 5-OHMU, and o-Tyr were higher in the patients who survived without health sequelae than in those who survived with visual and CNS sequelae (all p < 0.05). Acute concentrations of markers of proteins and nucleic acids damage correlated with laboratory parameters of acidemia (anion gap) and serum ethanol concentration on admission (both p < 0.05). Acute elevation of the concentration of markers of nucleic acids and proteins oxidative damage in the patients with methanol poisoning suggest that mild-to-moderate oxidative stress may play an important role in the non-specific mechanisms of brain protection against direct neurotoxic effects of formic acid. The experimental process involved the reaction of 5-(Hydroxymethyl)pyrimidine-2,4(1H,3H)-dione(cas: 4433-40-3).Product Details of 4433-40-3

The Article related to forensic biomarker nucleic acid protein oxidative stress methanol poisoning, Toxicology: Forensic Chemistry (Including Analysis) and other aspects.Product Details of 4433-40-3

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

On January 14, 2010, Bertram, Lisa Sarah; Fyfe, Matthew Colin Thor; Jeevaratnam, Revathy Perpetua; Keily, John; Krulle, Thomas Martin; Rasamison, Chrystelle Marie; Sambrook-Smith, Colin Peter; Swain, Simon Andrew published a patent.Related Products of 596114-50-0 The title of the patent was Piperidinyl compounds as GPCR agonists and their preparation, and use in the treatment of diabetes and obesity. And the patent contained the following:

The invention relates to compounds of formula I or pharmaceutically acceptable salts thereof, are GPCR agonists and are useful as for the treatment of diabetes and obesity. Compounds of formula I wherein Q is CH and N; one of W, Y and Z is N and CH and the others are CR5; R1 is SO2Me and CONH2 and derivatives; R2, R3 and R4 are independently H and Me; n is 0, 1, and 2; R5 is C1-4 alkyl, C1-4 alkoxy, F, Cl, C1-3 fluoroalkyl and Bn; and pharmaceutically acceptable salts thereof, are claimed. Example compound II was prepared by a general procedure (procedure given). All the invention compounds were evaluated for their GPCR agonistic activity (some data given). The experimental process involved the reaction of 2-Chloro-5-isopropylpyrimidine(cas: 596114-50-0).Related Products of 596114-50-0

The Article related to piperidinyl compound preparation gpcr agonist treatment diabetes obesity, Heterocyclic Compounds (One Hetero Atom): Pyridines and other aspects.Related Products of 596114-50-0

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Green, James A.; Jouybari, Martha Yaghoubi; Aranda, Daniel; Improta, Roberto; Santoro, Fabrizio published an article in 2021, the title of the article was Nonadiabatic absorption spectra and ultrafast dynamics of DNA and RNA photoexcited nucleobases.Electric Literature of 65-71-4 And the article contains the following content:

We have recently proposed a protocol for Quantum Dynamics (QD) calculations, which is based on a parameterisation of Linear Vibronic Coupling (LVC) Hamiltonians with Time Dependent (TD) D. Functional Theory (TD-DFT), and exploits the latest developments in multiconfigurational TD-Hartree methods for an effective wave packet propagation. In this contribution we explore the potentialities of this approach to compute nonadiabatic vibronic spectra and ultrafast dynamics, by applying it to the five nucleobases present in DNA and RNA. For all of them we computed the absorption spectra and the dynamics of ultrafast internal conversion (100 fs timescale), fully coupling the first 2-3 bright states and all the close by dark states, for a total of 6-9 states, and including all the normal coordinates. We adopted two different functionals, CAM-B3LYP and PBE0, and tested the effect of the basis set. Computed spectra are in good agreement with the available exptl. data, remarkably improving over pure electronic computations, but also with respect to vibronic spectra obtained neglecting inter-state couplings. Our QD simulations indicate an effective population transfer from the lowest energy bright excited states to the close-lying dark excited states for uracil, thymine and adenine. Dynamics from higher-energy states show an ultrafast depopulation toward the more stable ones. The proposed protocol is sufficiently general and automatic to promise to become useful for widespread applications. The experimental process involved the reaction of 5-Methylpyrimidine-2,4(1H,3H)-dione(cas: 65-71-4).Electric Literature of 65-71-4

The Article related to dna rna photoexcitation nucleobase absorption spectra, nonadiabatic interactions, nucleobases, photoinduced processes, quantum dynamics, vibronic spectra, Biochemical Methods: Spectral and Related Methods and other aspects.Electric Literature of 65-71-4

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

On July 10, 2020, Qin, Chao; Hu, Xiaojie; Waigi, Michael Gatheru; Yang, Bing; Gao, Yanzheng published an article.HPLC of Formula: 65-71-4 The title of the article was Amino and hydroxy substitution influences pyrene-DNA binding. And the article contained the following:

Polycyclic aromatic hydrocarbon (PAH)-DNA binding is an essential step in PAH-induced carcinogenesis. A large number of PAHs contain substituents, it is unclear whether functional groups will influence the PAH-DNA binding. Here, we investigated amino (-NH2) and hydroxy (-OH) substitution on pyrene-DNA binding. Because of the considerable effects of electrostatic surface potential (ESP), -NH2 substitution significantly facilitated binding by increasing the binding constant (log KA) from 4.14 L mol-1 to 12.31 L mol-1, while -OH substitution inhibited binding by reducing log KA to 3.68 L mol-1. Spectroscopy results revealed that pyrene and its derivatives were able to bind with thymine to induce DNA damage or double helix distortion. Quantum chem. calculations showed that -NH2 substitution induces hydrogen bond formation, thereby enhancing the binding of pyrene with DNA; moreover, binding force changes due to -OH substitution may not be an essential factor. All structural descriptors were not correlated with the quenching constant (KSV) or binding constant, indicating that changes in physicochem. properties shows no influence on pyrene-DNA binding. The results of this study will improve our understanding of the contribution of functional groups to PAH-DNA binding. The experimental process involved the reaction of 5-Methylpyrimidine-2,4(1H,3H)-dione(cas: 65-71-4).HPLC of Formula: 65-71-4

The Article related to pyrene dna damage amino hydroxy group substitution, carcinogenesis, dna, functional groups, pahs, Toxicology: Carcinogens, Mutagens, and Teratogens and other aspects.HPLC of Formula: 65-71-4

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Qin, Zhen; Liu, Jia; Qiu, Bo; Luo, Hai published an article in 2012, the title of the article was Reactive desorption electrospray ionization mass spectrometry of self-assembled quintets of uracil and its homologues.Safety of 6-Methylpyrimidine-2,4(1H,3H)-dione And the article contains the following content:

The authors use reactive desorption electrospray ionization (DESI) to investigate the formation of quintets of uracil and homologs (thymine, 6-methyluracil, 5-ethyluracil, 5,6-dimethyluracil) sep. in the spray solvent and on the surface. Exchange reactions for the subunit(s) of the quintet are observed Furthermore, the different signal distributions of the homo-subunit and hetero-subunit quintets formed from any two of the uracil homologs can be compared by using the values of a specially defined molar ration Rm. The results provide a relative stability order for the quintets formed by each of the homologs, which is in agreement with that obtained by DFT calculations The experimental process involved the reaction of 6-Methylpyrimidine-2,4(1H,3H)-dione(cas: 626-48-2).Safety of 6-Methylpyrimidine-2,4(1H,3H)-dione

The Article related to reactive desorption electrospray ionization mass spectrometry uracil homolog quintet, Biochemical Methods: Spectral and Related Methods and other aspects.Safety of 6-Methylpyrimidine-2,4(1H,3H)-dione

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia