The important role of 5451-40-1

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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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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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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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Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Article, Research Support, Non-U.S. Gov’t, Bioorganic Chemistry called Design, synthesis and biological evaluation of a novel tubulin inhibitor SKLB0565 targeting the colchicine binding site, Author is Hu, Xi; Li, Lu; Zhang, Qiangsheng; Wang, Qianqian; Feng, Zhanzhan; Xu, Ying; Xia, Yong; Yu, Luoting, which mentions a compound: 5451-40-1, SMILESS is C2=NC1=C(C(=NC(=N1)Cl)Cl)[NH]2, Molecular C5H2Cl2N4, SDS of cas: 5451-40-1.

A series of 3-(((9H-purin-6-yl)amino)methyl)pyridin-2(1H)-one derivatives were designed, synthesized and confirmed as tubulin polymerization inhibitors. All compounds were evaluated for their anti-proliferative activities on three colorectal carcinoma (CRC) cell lines. Among these compounds, SKLB0565 displayed noteworthy potency against eight CRC cell lines with IC50 values ranging from 0.012μM and 0.081μM. Besides, SKLB0565 inhibited tubulin polymerization, caused G2/M phase cell cycle arrest, depolarized mitochondria and induced cell apoptosis in CRC cells. Furthermore, SKLB0565 suppressed cell migration and disrupted the capillary tube formation of human umbilical vein endothelial cells (HUVECs). In this SKLB0565 is a promising anti-tubulin agent for CRC therapy which is worthy of further evaluation is clarified.

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Top Picks: new discover of 5451-40-1

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Formula: C5H2Cl2N4. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 2,6-Dichloropurine, is researched, Molecular C5H2Cl2N4, CAS is 5451-40-1, about Subtle Chemical Changes Cross the Boundary between Agonist and Antagonist: New A3 Adenosine Receptor Homology Models and Structural Network Analysis Can Predict This Boundary. Author is Lee, Yoonji; Hou, Xiyan; Lee, Jin Hee; Nayak, Akshata; Alexander, Varughese; Sharma, Pankaz K.; Chang, Hyerim; Phan, Khai; Gao, Zhan-Guo; Jacobson, Kenneth A.; Choi, Sun; Jeong, Lak Shin.

Distinguishing compounds′ agonistic or antagonistic behavior would be of great utility for the rational discovery of selective modulators. We synthesized truncated nucleoside derivatives and discovered 6c (I)(Ki = 2.40 nM) as a potent human A3 adenosine receptor (hA3AR) agonist, and subtle chem. modification induced a shift from antagonist to agonist. We elucidated this shift by developing new hA3AR homol. models that consider the pharmacol. profiles of the ligands. Taken together with mol. dynamics (MD) simulation and three-dimensional (3D) structural network anal. of the receptor-ligand complex, the results indicated that the hydrogen bonding with Thr943.36 and His2727.43 could make a stable interaction between the 3′-amino group with TM3 and TM7, and the corresponding induced-fit effects may play important roles in rendering the agonistic effect. Our results provide a more precise understanding of the compounds′ actions at the at. level and a rationale for the design of new drugs with specific pharmacol. profiles.

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Category: oxazolidine. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 2,6-Dichloropurine, is researched, Molecular C5H2Cl2N4, CAS is 5451-40-1, about Efficient synthesis of α-branched purine-based acyclic nucleosides: scopes and limitations of the method. Author is Frydrych, Jan; Slaveetinska, Lenka Postova; Draccinsky, Martin; Janeba, Zlatko.

An efficient route to acylated acyclic nucleosides containing a branched hemiaminal ether moiety was reported via three-component alkylation of N-heterocycle (purine nucleobase) with acetal (cyclic or acyclic, variously branched) and anhydride (preferentially acetic anhydride). The procedure employed cheap and easily available acetals, acetic anhydride, and trimethylsilyl trifluoromethanesulfonate (TMSOTf). The multi-component reaction was carried out in acetonitrile at room temperature for 15 min and provides moderate to high yields (up to 88%) of diverse acyclonucleosides branched at the aliphatic side chain. The procedure exhibited a broad substrate scope of N-heterocycles and acetals, and, in the case of purine derivatives, also excellent regioselectivity, giving almost exclusively N-9 isomers.

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Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Article, Journal of Enzyme Inhibition and Medicinal Chemistry called TNP and its analogs: Modulation of IP6K and CYP3A4 inhibition, Author is Lee, Seulgi; Park, Bernie Byeonghoon; Kwon, Hongmok; Kim, Vitchan; Jeon, Jang Su; Lee, Rowoon; Subedi, Milan; Lim, Taehyeong; Ha, Hyunsoo; An, Dongju; Kim, Jaehoon; Kim, Donghak; Kim, Sang Kyum; Kim, Seyun; Byun, Youngjoo, which mentions a compound: 5451-40-1, SMILESS is C2=NC1=C(C(=NC(=N1)Cl)Cl)[NH]2, Molecular C5H2Cl2N4, Quality Control of 2,6-Dichloropurine.

Inositol hexakisphosphate kinase (IP6K) is an important mammalian enzyme involved in various biol. processes such as insulin signalling and blood clotting. Recent analyses on drug metabolism and pharmacokinetic properties on TNP (N2-(m-trifluorobenzyl), N6-(p-nitrobenzyl)purine), a pan-IP6K inhibitor, have suggested that it may inhibit cytochrome P 450 (CYP450) enzymes and induce unwanted drug-drug interactions in the liver. In this study, we confirmed that TNP inhibits CYP3A4 in type I binding mode more selectively than the other CYP450 isoforms. In an effort to find novel purine-based IP6K inhibitors with minimal CYP3A4 inhibition, we designed and synthesized 15 TNP analogs. Structure-activity relationship and biochem. studies, including ADP-Glo kinase assay and quantification of cell-based IP7 production, showed that compound dramatically reduced CYP3A4 inhibition while retaining IP6K-inhibitory activity. Compound can be a tool mol. for structural optimization of purine-based IP6K inhibitors.

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So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic.Hyun, Young Eum; Kim, Hong-Rae; Jeong, Lak Shin researched the compound: 2,6-Dichloropurine( cas:5451-40-1 ).Recommanded Product: 5451-40-1.They published the article 《Stereoselective Synthesis of (S)- and (N)-Cyclopropyl-Fused Carbocyclic Nucleosides Using Stereoselective Cyclopropanation》 about this compound( cas:5451-40-1 ) in Journal of Organic Chemistry. Keywords: transition state Simmons Smith cyclopropanation conformation Charette; crystal structure carbocyclic nucleoside stereoselective cyclopropanation synthesis cyclopropyl fused. We’ll tell you more about this compound (cas:5451-40-1).

To determine which sugar conformation is favorable in binding to peroxisome proliferator-activated receptors, the conformationally locked south (S) and north (N) analogs were asym. synthesized using a bicyclo[3.1.0]hexane template. The (S)-conformer was synthesized by employing “”reagent-controlled”” Charette asym. cyclopropanation in a 100% stereoselective manner, whereas the (N)-conformer was stereoselectively synthesized by using “”substrate-controlled”” hydroxyl-directed Simmons-Smith cyclopropanation as a key step. (S)- and (N)-Cyclopropyl-Fused Carbocyclic Nucleosides, e.g. I, were prepared

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