Get Up to Speed Quickly on Emerging Topics: 5451-40-1

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In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called Potent and orally active purine-based fetal hemoglobin inducers for treating β-thalassemia and sickle cell disease, published in 2021-01-01, which mentions a compound: 5451-40-1, mainly applied to fetal Hb inducer beta thalassemia sickle cell disease; Fetal hemoglobin; Inducer; Sickle cell disease; β-Thalassemia, Recommanded Product: 5451-40-1.

Reactivation of fetal Hb (HbF) expression by therapeutic agents has been suggested as an alternative treatment to modulate anemia and the related symptoms of severe β-thalassemia and sickle cell disease (SCD). Hydroxyurea (HU) is the first US FDA-approved HbF inducer for treating SCD. However, approx. 25% of the patients with SCD do not respond to HU. A previous study identified TN1 (1) as a small-mol. HbF inducer. However, this study found that the poor potency and oral bioavailability of compound 1 limits the development of this inducer for clin. use. To develop drug-like compounds, further structure-activity relationship studies on the purine-based structure of 1 were conducted. Herein, we report our discovery of a more potent inducer, compound 13a, that can efficiently induce γ-globin gene expression at non-cytotoxic concentrations The mol. mechanism of 13a, for the regulation HbF expression, was also investigated. In addition, we demonstrated that oral administration of 13a can ameliorate anemia and the related symptoms in SCD mice. The results of this study suggest that 13a can be further developed as a novel agent for treating hemoglobinopathies, such as β-thalassemia and SCD.

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Sisulins, Andrejs; Bizdena, Erika; Turks, Maris; Novosjolova, Irina published the article 《2,6-bis[4-(4-butylphenyl)-1H-1,2,3-triazol-1-yl]-9-dodecyl-9H-purine》. Keywords: butylphenyl triazolyl dodecyl purine preparation; diazido dodecyl purine butyl phenylacetylene dipolar cycloaddition copper catalyst.They researched the compound: 2,6-Dichloropurine( cas:5451-40-1 ).Application of 5451-40-1. Aromatic heterocyclic compounds can be divided into two categories: single heterocyclic and fused heterocyclic. In addition, there is a lot of other information about this compound (cas:5451-40-1) here.

Target 2,6-bis[4-(4-butylphenyl)-1H-1,2,3-triazol-1-yl]-9-dodecyl-9H-purine has been prepared via a Cu(I)-catalyzed azide-alkyne 1,3-dipolar cycloaddition reaction between 2,6-diazido-9-dodecyl-9H-purine and 4-n-butyl(phenylacetylene) in a 29% yield. The obtained compound was fully characterized by NMR, IR and HRMS.

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Patil, R. S.; Jadhav, P. M.; Radhakrishnan, S.; Soman, T. published the article 《Process chemistry of 4, 6-dihydroxy-2-methylpyrimidine-A potential precursor in pharmaceutical and explosive industries》. Keywords: dihydroxy methylpyrimidine A pharmaceutical explosive industry.They researched the compound: 6-Hydroxy-2-methylpyrimidin-4(3H)-one( cas:1194-22-5 ).Related Products of 1194-22-5. Aromatic heterocyclic compounds can be divided into two categories: single heterocyclic and fused heterocyclic. In addition, there is a lot of other information about this compound (cas:1194-22-5) here.

4,6-Dihydroxy-2-methylpyrimidine is an important precursor, finding widespread applications in the preparation of high explosives and medicinal products. The synthesis of 4,6-dihydroxy-2-methylpyrimidine has been carried out by the condensation of acetamidinium chloride and di-Et malonate in absolute methanol and further acidified by hydrochloric acid. Process chem. has been studied by using various alcs., alkoxides and effect of reaction period. The role of process variables and parameters has been understood thoroughly and developed an economic process. Modified process yielded the product without compromising on its quality, which was confirmed by spectroscopic techniques and elemental anal. Hence, the study finds its usefulness in the development of an economic process for the production of 4,6-dihydroxy-2-methylpyrimidine.

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Application In Synthesis of Ethyl 3-bromo-2-oxopropanoate. 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: Ethyl 3-bromo-2-oxopropanoate, is researched, Molecular C5H7BrO3, CAS is 70-23-5, about Syntheses of Novel Tetrasubstituted Thiophenes from Benzene-1,2-Diamines, Ethyl Bromopyruvate, Malononitrile, and Aryl Isothiocyanates. Author is Piltan, Mohammad.

Synthesis of amino(oxo-dihydroquinoxalinyl)(phenylamino)thiophene-carbonitrile derivatives I [R = H, Me, Cl; R1 = 2-MeOC6H4, 4-NO2C6H4, Et, Ph] was reported via sequential base mediated condensation of malononitrile with aryl isothiocyanates followed by S-alkylation with 3-(bromomethyl)quinoxalin-2(1H)-one compounds and concurrent intramol. enamine type condensation of S-alkylated compounds in excellent yields.

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The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Synthetic modification and scale-up process for 1,1-diamino-2,2-dinitroethene (FOX-7)》. Authors are Chung, Kyoo-Hyun; Goh, Eun Mee; Cho, Jin Rai.The article about the compound:6-Hydroxy-2-methylpyrimidin-4(3H)-onecas:1194-22-5,SMILESS:CC1=NC(=CC(N1)=O)O).Recommanded Product: 1194-22-5. Through the article, more information about this compound (cas:1194-22-5) is conveyed.

Many different synthetic routes to FOX-7 were developed until now. Each starting material such as 2-methylimidazole, 2-methoxy-2-methylimidazolidine-4,5-dione, or 2-methylpyrimidine-4,6-dione (4,6-dihydroxy-2-methylpyrimidine), was nitrated and then hydrolyzed to FOX-7 by somewhat different process, but the yields were more or less low and the processes were felt a little boring. In the modified process from 4,6-dihydroxy-2-methylpyrimidine, FOX-7 was synthesized in about 90% yield within several hours. The reaction temperature was well controlled in the preparation of 4,6-dihydroxy-2-methylpyrimidine, while some heat was evolved at the beginning of nitration, judging from a reaction calorimeter.

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Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: 6-Hydroxy-2-methylpyrimidin-4(3H)-one, is researched, Molecular C5H6N2O2, CAS is 1194-22-5, about Properties of the OH Adducts of Hydroxy-, Methyl-, Methoxy-, and Amino-Substituted Pyrimidines: Their Dehydration Reactions and End-Product Analysis.Recommanded Product: 1194-22-5.

Reactions of hydroxyl radicals (•OH) with 2-amino-4-methylpyrimidine (AMP), 2-amino-4,6-dimethylpyrimidine (ADMP), 2-amino-4-methoxy-6-methylpyrimidine (AMMP), 2-amino-4-hydroxy-6-methylpyrimidine (AHMP), 4,6-dihydroxy-2-methylpyrimidine (DHMP), 2,4-dimethyl-6-hydroxypyrimidine (DMHP), 6-methyluracil (MU), and 5,6-dimethyluracil (DMU) have been studied by pulse radiolysis and steady-state radiolysis techniques at different pH values. The second-order rate constants of the reaction of •OH with these systems are of the order of (2-9) × 109 dm3 mol-1 s-1 at near neutral pH. The difference in the spectral features of the intermediates at near neutral pH and at higher pH (10.4) obtained with these pyrimidines are attributed to the deprotonation of the OH adducts. The G(TMPD•+) obtained at pH ∼ 6, from the electron-transfer reactions of the oxidizing intermediates with the reductant, N,N,N’,N’-tetramethyl-p-phenylenediamine (TMPD), are in the range (0.2-0.9) × 10-7 mol J-1 which constituted about 3-16% oxidizing radicals. These yields were highly enhanced at pH 10.5 in the case of AHMP, DHMP, DMU, and MU [G(TMPD•+) = 3.8-5.5 equivalent 66-95% oxidizing radical]. On the basis of these results, it is proposed that a nonoxidizing C(6)-ylC(5)OH radical adduct is initially formed at pH 6 which is responsible for the observed transient spectra. The high yield of TMPD•+ at higher pH is explained in terms of a base-catalyzed conversion (via a dehydration reaction) of the initially formed C(6)-ylC(5)OH adduct (nonoxidizing) to C(5)-ylC(6)OH adduct which is oxidizing in nature. Among the selected pyrimidines, such a dehydration reaction was observed only with those having a keto (or hydroxy) group at the C(4) position of the pyrimidine ring. Qual. analyses of the products resulting from the OH adducts of DHMP (at pH 4.5) and DMHP (at pH 6) were carried out using HPLC-ES-MS and a variety of products have been identified. Glycolic and dimeric products were observed as the major end-products. The product profiles of both DHMP and DMHP have shown that the precursors of the products are mainly the C(6)-ylC(5)OH and the H adduct radicals. The identified products are formed mainly by disproportionation and dimerization reactions of these radicals. The mechanistic aspects are discussed.

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Application In Synthesis of 6-Hydroxy-2-methylpyrimidin-4(3H)-one. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 6-Hydroxy-2-methylpyrimidin-4(3H)-one, is researched, Molecular C5H6N2O2, CAS is 1194-22-5, about The nitration peculiarity of 6-hydroxy-2-methylpyrimidine-4(3H)-one to 6-hydroxy-2-methyl-5-nitropyrimidine-4(3H)-one. Author is Kushtaev, A. A.; Yudin, N. V.; Zbarsky, V. L..

The nitration kinetic of 6-hydroxy-2-methylpyrimidine-4(3H)-one to 6-hydroxy-2-methyl-5-nitropyrimidine-4(3H)-one was studied in sulfuric-nitric acid mixtures The dependences of rate constants from medium acidity and nitric acid concentration were obtained. The nitrogen oxides influence was discovered on this process. The basicity constant of 6-hydroxy-2-methylpyrimidine-4(3H)-one was calculated.

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Reference of Ethyl 3-bromo-2-oxopropanoate. 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: Ethyl 3-bromo-2-oxopropanoate, is researched, Molecular C5H7BrO3, CAS is 70-23-5, about Four-component green synthesis of benzochromene derivatives using nano-KF/clinoptilolite as basic catalyst: study of antioxidant activity. Author is Ezzatzadeh, Elham; Hossaini, Zinatossadat.

An efficient procedure for the synthesis of benzochromene derivatives I (R = Me, Et, Ph, 4-MeC6H4, 4-MeOC6H4; R1 = COOEt, 4-MeC6H4, 4-MeOC6H4; R2 = Me, Et) employing 1-(6-hydroxy-2-isopropenyl-1-benzofuran-yl)-1-ethanone (euparin), aldehydes, alkyl bromides, dialkyl acetylenedicarboxylate and triphenylphosphine in the presence of KF/CP NPs as a heterogeneous base nano-catalyst in water at 80° is investigated. Also, the antioxidant activity of some synthesized compounds was studied. The workup of mixture of reaction is simple, and the products can be separated easily by filtration. KF/CP NPs showed a good improvement in the yield of the product and displayed significant reusable activity.

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Reference of 2,6-Dichloropurine. 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: 2,6-Dichloropurine, is researched, Molecular C5H2Cl2N4, CAS is 5451-40-1, about Hydrogen-Bonding Interactions of Methylated Adenine Derivatives. Author is Osifova, Zuzana; Socha, Ondrej; Muzikova Cechova, Lucie; Sala, Michal; Janeba, Zlatko; Dracinsky, Martin.

Hydrogen bonding between nucleobases is a crucial noncovalent interaction for the life on Earth. Apart from Watson-Crick binding, Hoogsteen pairing has been found in many structures of nucleic acids. Methylation of nucleic acids (NAs) is a post-replication or post-transcription mechanism that can modulate the structure and function of a NA without changing its sequence. Methylation of adenine at the N6 position to form N6-methyladenine (m6A) is one of the most important and common epigenetic markers. This paper describes an investigation of intermol. H-bonding interactions of methylated derivatives of adenine with its complementary partner, thymine. Adenine derivatives with (di)methylamino groups in positions 2 or 6, I (R1 = NHMe, R2 = H; R1 = H, R2 = Me; R1 = NMe2, R2 = H; R1 = R2 = H), have been prepared and their interactions with thymine derivative II have been studied by NMR spectroscopy and DFT calculations It has been found that Hoogsteen pairing is preferred for adenine derivatives, which offers two hydrogen-bond sites on both Watson-Crick and Hoogsteen sides of the mol. Methylation of the N6 position leads to further stabilization of the Hoogsteen pair.

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Wu, Yangbo; Zhang, Yuming; Ran, Chunhao; Lan, Jingbo; Bin, Zhengyang; You, Jingsong published the article 《Management of Locally Excited States for Purine-based TADF Emitters: A Method to Reduce Device Efficiency Roll-Off》. Keywords: locally excited purine based TADF emitter.They researched the compound: 2,6-Dichloropurine( cas:5451-40-1 ).Application In Synthesis of 2,6-Dichloropurine. Aromatic heterocyclic compounds can be divided into two categories: single heterocyclic and fused heterocyclic. In addition, there is a lot of other information about this compound (cas:5451-40-1) here.

The programmed arylation of purine has been developed to construct a series of efficient thermally activated delayed fluorescent (TADF) materials. The corresponding organic light-emitting diodes (OLEDs) exhibit external quantum efficiency as high as 16.0% alongside small efficiency roll-off. Intriguingly, this work proves that the good management of localized states is an efficient way to reduce device efficiency roll-off and is crucial for the future design of high-performance OLEDs.

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