Month: April 2022

Porter, A. E. A.; Sammes, Peter G. published an article about the compound: 6-Hydroxy-2-methylpyrimidin-4(3H)-one( cas:1194-22-5,SMILESS:CC1=NC(=CC(N1)=O)O ).Computed Properties of C5H6N2O2. Aromatic heterocyclic compounds can be classified according to the number of heteroatoms or the size of the ring. The authors also want to convey more information about this compound (cas:1194-22-5) through the article.

The adducts I and II are prepared from III and IV and the dienophiles, MeO2CCCCO2Me and norbornadiene, resp. Brevianamide A, previously isolated from Penicillium brevi-compactum [Birch, J. A. and Wright, J. J. (1969)], may be obtained in nature by a similar process.

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

Xu, Yuankang; Wang, Hanyu; Zhao, Jinyan; Yang, Xiaofeng; Pei, Meishan; Zhang, Guangyou; Zhang, Yanxia published the article 《A dual functional fluorescent sensor for the detection of Al3+ and Zn2+ in different solvents》. Keywords: dual functional fluorescent sensor aluminum zinc detection solvent.They researched the compound: Ethyl 3-bromo-2-oxopropanoate( cas:70-23-5 ).Application of 70-23-5. 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:70-23-5) here.

(E)-N’-((2-Hydroxynaphthalen-1-yl)methylene)imidazo[2,1-b]thiazole-6-carbohydrazide (X), a new fluorescent sensor, was designed and synthesized based on imidazo[2,1-b]thiazole and 2-hydroxy-1-naphthaldehyde, which could be used to detect Al3+ in methanol buffer solution and detect Zn2+ in ethanol buffer solution with detection limits of 1.45 × 10-7 M and 1.29 × 10-8 M, resp. X showed high sensitivity and selectivity towards Al3+ and Zn2+ in the presence of other metal ions. The fluorescence intensity of X was reversible even after six cycles with the sequentially alternative addition of metal ions (Al3+ and Zn2+) and PPi, showing an efficient off-on-off fluorescence behavior. The complexation ratio of X to Al3+ and Zn2+ was 1 : 1, which was proved by mass spectrometry and the B-H equation. The binding mode and sensing mechanism of X with metal ions (Al3+ and Zn2+) were verified by DFT/TDDFT calculations using Gaussian 09 based on the B3LYP/6-31G(d) basis set.

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COA of Formula: Br2Cu. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: Cupric bromide, is researched, Molecular Br2Cu, CAS is 7789-45-9, about Layered Copper-Metallated Covalent Organic Frameworks for Huisgen Reactions. Author is Romero-Muniz, Ignacio; Albacete, Pablo; Platero-Prats, Ana E.; Zamora, Felix.

Covalent organic frameworks (COFs) are porous materials formed through condensation reactions of organic mols. via the formation of dynamic covalent bonds. Among COFs, those based on imine and β-ketoenamine linkages offer an excellent platform for binding metallic species such as copper to design efficient heterogeneous catalysts. In this work, imine- and β-ketoenamine-based COF materials were modified with catalytic copper sites following a metalation method, which favored the formation of binding amine defects. The obtained copper-metalated COF materials were tested as heterogeneous catalysts for 1,3-dipolar cycloaddition reactions, resulting in high yields and recyclability.

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Quality Control of Cupric bromide. 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: Cupric bromide, is researched, Molecular Br2Cu, CAS is 7789-45-9, about Colored Janus nanocylinders driven by supramolecular coassembly of donor and acceptor building blocks. Author is Choisnet, Thomas; Canevet, David; Salle, Marc; Lorthioir, Cedric; Bouteiller, Laurent; Woisel, Patrice; Niepceron, Frederick; Nicol, Erwan; Colombani, Olivier.

Janus nanocylinders exhibit nanometric dimensions, a high aspect ratio, and two faces with different chemistries (Janus character), making them potentially relevant for applications in optics, magnetism, catalysis, surface nanopatterning, or interface stabilization, but they are also very difficult to prepare by conventional strategies. In the present work, Janus nanocylinders were prepared by supramol. coassembly in water of two different polymers functionalized with complementary assembling units. The originality of our approach consists in combining charge transfer complexation between electron-rich and electron-poor units with hydrogen bonding to (1) drive the supramol. formation of one-dimensional structures (cylinders), (2) force the two polymer arms on opposite sides of the cylinders independently of their compatibility, resulting in Janus nanoparticles, and (3) detect coassembly through a color change of the solution upon mixing of the functional polymers.

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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 Convergent synthesis of 2-thioether-substituted (N)-methanocarba-adenosines as purine receptor agonists, published in 2021, which mentions a compound: 5451-40-1, mainly applied to thioether methanocarba adenosine purine receptor agonist convergent synthesis, Recommanded Product: 2,6-Dichloropurine.

A linear route has been used to prepare (N)-methanocarba-nucleoside derivatives, which serve as purine receptor ligands having a pre-established, receptor-preferred conformation. To introduce this rigid ribose substitute, a Mitsunobu reaction of a [3.1.0]bicyclohexane 5′-trityl intermediate 3 with a nucleobase is typically followed by functional group modifications. We herein report an efficient scalable convergent synthesis for 2-substituted (N)-methanocarba-adenosines, which were demonstrated to bind to the A3 adenosine receptor. The adenine moiety was pre-functionalized with 2-thioethers and other groups before coupling to the bicyclic precursor (3) as a key step to facilitate a high yield Mitsunobu product. This new approach provided the (N)-methanocarba-adenosines in moderate to good yield, which effectively increased the overall yield compared to a linear synthesis and conserved a key intermediate 3 (a product of nine sequential steps). The generality of this convergent synthesis, which is suitable as an optimized preclin. synthetic route, was demonstrated with various 2-thioether and 2-methoxy substituents.

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In general, if the atoms that make up the ring contain heteroatoms, such rings become heterocycles, and organic compounds containing heterocycles are called heterocyclic compounds. An article called Mixed ligand complexes of copper(II) with benzoyltrifluoroacetone, 1,10-phenanthroline and 2,2′-bipyridine: Structure, spectroscopic and antimicrobial properties, published in 2022-02-15, which mentions a compound: 7789-45-9, Name is Cupric bromide, Molecular Br2Cu, Application of 7789-45-9.

Mixed ligand copper(II) complexes of Benzoyltrifluoroacetone (BTAH) with 1,10-phenanthroline (Phen) and 2,2′-bipyridine (Bipy) were synthesized and characterized. These complexes, namely [Cu(BTA)(Phen)(NO3)] (1), [Cu(BTA)(Phen)Cl] (2), [Cu(BTA)(Bipy)(NO3)] (3), [Cu(BTA)(Bipy)Cl] (4), and [Cu(BTA)(Phen)Br]•H2O (5), were characterized by elemental anal.; spectral; magnetic and molar conductance measurements; mass spectrometry; thermal anal. and antimicrobial susceptibility testing. The structures of 1 and 4 contained square pyramidal copper(II) environments. The microbiostatic activity revealed that the copper complexes showed pronounced activity in all the tested bacteria, except in Klebsiella pneumonia, Escherichia coli and Salmonella enterica in which some of the complexes were moderately active on the bacterial strains.

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Oxazolidine – Wikipedia,
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Bertrand, Jeanluc; Dostalova, Hana; Krystof, Vladimir; Jorda, Radek; Castro, Alejandro; Mella, Jaime; Espinosa-Bustos, Christian; Maria Zarate, Ana; Salas, Cristian O. published the article 《New 2,6,9-trisubstituted purine derivatives as Bcr-Abl and Btk inhibitors and as promising agents against leukemia》. Keywords: purine preparation SAR antileukemic activity cytotoxicity; Bcr-Abl inhibitors; Btk inhibitors; Docking; Leukemia; Purine derivatives; QSAR.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.

Bcr-Abl and Btk kinases are among the targets that have been considered for the treatment of leukemia. Therefore, several strategies have focused on the use of inhibitors as chemotherapeutic tools to treat these types of leukemia, such as imatinib (for Bcr-Abl) or ibrutinib (for Btk). However, the efficacy of these drugs has been reduced due to resistance mechanisms, which have motivated the development of new and more effective compounds In this study, 2,6,9-trisubstituted purine derivatives I (R = C6H5, 3-FC6H4, 4-CH3OC6H4, etc.; R1 = H, F) were designed, synthesized and evaluated as novel Bcr-Abl and Btk inhibitors. The compounds I (R = 3-FC6H4; R1 = H) and (R = 3,4-(F)2C6H3; R1 = H) were identified as potent inhibitors of both kinases (IC50 values of 40 nM and 0.58/0.66μM for Abl and Btk, resp.). From docking and QSAR analyses, it was concluded that fluorination of the arylpiperazine system is detrimental to the activity against two kinases, and also validated the hypothesis that the substitution on the 6-phenylamino ring is important for the inhibition of both kinases. In addition, the studies indicated that most compounds could suppress the proliferation of leukemia and lymphoma cells (HL60, MV4-11, CEM, K562 and Ramos cells) at low micromolar concentrations in vitro. Finally, the compound I (R = 3-FC6H4; R1 = H) inhibited the downstream signaling of both kinases in the resp. cell models. Therefore, I (R = 3-FC6H4; R1 = H) and (R = 3,4-(F)2C6H3; R1 = H) possessed potency to be further optimized as anti-leukemia drugs by simultaneously inhibiting the Bcr-Abl and Btk kinases.

There is still a lot of research devoted to this compound(SMILES：C2=NC1=C(C(=NC(=N1)Cl)Cl)[NH]2)Application In Synthesis of 2,6-Dichloropurine, and with the development of science, more effects of this compound(5451-40-1) can be discovered.

Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

Category: oxazolidine. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: Cupric bromide, is researched, Molecular Br2Cu, CAS is 7789-45-9, about A Schiff base ligand for photoinduced atom transfer radical polymerization. Author is Xu, Xiaoling; Hong, Mei; Bao, Chunyang; Wang, Yan; Chen, Jing; Li, Die; Wang, Tianheng; Zhang, Qiang.

A claw-type Schiff base, tris[N-(2-pyridylmethyl)-2-iminoethyl]amine (Py3Tren), is used as an active ligand for photoinduced atom transfer radical polymerization (Photo-ATRP). CuBr2/Py3Tren was employed as a catalyst for Photo-ATRP of Me methacrylate (MMA) under the irradiation of UV or visible light. Well-defined poly(MMA) could be synthesized with high chain-end functionality confirmed by in situ chain extension. Temporal control of Photo-ATRP was successfully demonstrated by switching the light on and off. The polymerization mechanism was finally discussed through UV/vis spectroscopy and electrospray ionization mass spectrometry experiments

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

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, European Journal of Medicinal Chemistry called Purine/purine isoster based scaffolds as new derivatives of benzamide class of HDAC inhibitors, Author is Nepali, Kunal; Chang, Ting-Yu; Lai, Mei-Jung; Hsu, Kai-Cheng; Yen, Yun; Lin, Tony Eight; Lee, Sung-Bau; Liou, Jing-Ping, which mentions a compound: 5451-40-1, SMILESS is C2=NC1=C(C(=NC(=N1)Cl)Cl)[NH]2, Molecular C5H2Cl2N4, Product Details of 5451-40-1.

This study reports the design, synthesis and evaluation of a series of histone deacetylase (HDAC) inhibitors I (X = Cl, methylazanyl, (3-chloro-4-fluorophenyl)azanyl, etc.; Y = Cl, NH2, (2,4,6-trichloro-3,5-dimethoxyphenyl)azanyl; Z = N, CH; R = H, F) containing purine/purine isoster as a capping group and an N-(2-aminophenyl)-benzamide unit. In vitro cytotoxicity studies reveal that benzamide I (X = (3-chloro-4-fluorophenyl)azanyl; Y = NH2; Z = N; R = H) (A) suppressed the growth of triple-neg. breast cancer cells MDA-MB-231 (IC50 = 1.48μM), MDA-MB-468 (IC50 = 0.65μM), and liver cancer cells HepG2 (IC50 = 2.44μM), better than MS-275 and Chidamide. Compared to the well-known HDAC inhibitor SAHA, (A) showed a higher toxicity (IC50 = 0.33μM) in three leukemic cell lines, K-562, KG-1 and THP-1. Moreover, (A) was found to be equally virulent in the HDAC-sensitive and -resistant gastric cell lines, YCC11 and YCC3/7, resp., indicating the potential of (A) to overcome HDACi resistance. Furthermore, substantial inhibitory effects more pronounced than MS-275 and Chidamide were displayed by (A) towards HDAC1, 2 and 3 isoforms with IC50 values of 0.108, 0.585 and 0.563μM resp. Compound (A) also exhibited a potent antitumor efficacy in human MDA-MB-231 breast cancer xenograft mouse model, providing a potential lead for the development of anticancer agents.

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

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, Reactive & Functional Polymers called Synthesis of uniform polymer microspheres with “”living”” character using ppm levels of copper catalyst: ARGET atom transfer radical precipitation polymerisation, Author is Bicak, Tugrul Cem; Cormack, Peter A. G.; Walker, Calum, which mentions a compound: 7789-45-9, SMILESS is [Cu+2].[Br-].[Br-], Molecular Br2Cu, Safety of Cupric bromide.

The first example of activators regenerated by electron transfer atom transfer radical polymerization (ARGET ATRP) under precipitation polymerization (PP) conditions is reported. This new method for polymer synthesis (called ARGET ATRPP) requires only very low levels of metal catalyst for success, a distinctive feature that enables the production of uniform polymer microspheres under reversible-deactivation radical polymerization control. The influence of the polymerization conditions (monomer concentration, reaction time, initiator and catalyst concentrations) on the polymerizations and microsphere products were investigated and optimized. The ARGET ATRPP methodol. was used to prepare polymer microspheres with narrow particle size distributions and mean particle diameters in the micron-size range, under dilute monomer conditions (2%) while using very low copper catalyst concentrations (down to 1.7 ppm). The “”living”” characteristics of the polymer microspheres enabled poly(Me methacrylate) brushes to be grafted-from the microspheres directly without the need for any addnl. surface functionalization step to immobilize initiator moieties.

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem