Month: April 2022

Li, Bing; Shang, Xiaodong; Li, Linlin; Xu, Yuankang; Wang, Hanyu; Yang, Xiaofeng; Pei, Meishan; Zhang, Ruiqing; Zhang, Guangyou published an article about the compound: Ethyl 3-bromo-2-oxopropanoate( cas:70-23-5,SMILESS:O=C(OCC)C(CBr)=O ).SDS of cas: 70-23-5. 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:70-23-5) through the article.

A new fluorescence probe, (E)-N’-(2-hydroxybenzylidene)-6-phenylimidazo[2,1-b]thiazole-3-carbohydrazide (LB1), based on 6-phenylimidazo[2,1-b]thiazole and salicylaldehyde was designed and synthesized. The chem. structures of LB1 and its intermediate were characterized via 1H NMR, 13C NMR, FTIR, and mass spectrometry. The LB1 probe exhibited high sensitivity and selectivity towards In3+ and Cr3+via a fluorescence ‘off-on-off’ response. The detection limits of In3+ and Cr3+ were 2.59 × 10-9 M and 8.05 × 10-7 M, resp. The LB1 probe demonstrated ideal selectivity for In3+ among other competing ions and the newly formed complex [LB1 + In3+] could be further used as a new fluorescence platform towards Cr3+. The Job Plot of LB1 towards In3+ and Cr3+ was 1:1 and this was supported by mass spectrometry. The plausible binding modes and mechanisms were determined through DFT/TDDFT calculations using Gaussian 09.

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Oxazolidine – Wikipedia,
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Heterocyclic compounds can be divided into two categories: alicyclic heterocycles and aromatic heterocycles. Compounds whose heterocycles in the molecular skeleton cannot reflect aromaticity are called alicyclic heterocyclic compounds. Compound: 288-42-6, is researched, Molecular C3H3NO, about 14N Nuclear quadrupole coupling and methyl internal rotation in the microwave spectrum of 2-methylpyrrole, the main research direction is methylpyrrole nitrogen nuclear quadrupole coupling microwave spectrum.COA of Formula: C3H3NO.

Using two mol. jet Fourier transform microwave spectrometers, the rotational spectrum of 2-methylpyrrole was recorded in the frequency range from 2 to 40 GHz. From the torsional splittings due to the internal rotation of the Me group a barrier height of 279.7183(26) cm-1 was deduced. Because of the 14N nucleus, all lines show a quadrupole hyperfine structure. The microwave spectra were analyzed using the XIAM and BELGI-Cs-hyperfine codes. The XIAM code enabled us to reproduce the whole data set with a root-mean-square deviation of 5.6 kHz while the BELGI-Cs-hyperfine code could provide a better root-mean-square almost by a factor of 2 compared to that of XIAM. The exptl. results were complemented by quantum chem. calculations The values of the Me torsional barrier and the 14N nuclear quadrupole coupling constants are discussed and compared with other Me substituted pyrroles as well as other aromatic five-membered rings.

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Oxazolidine – Wikipedia,
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Name: 2,6-Dichloropurine. The reaction of aromatic heterocyclic molecules with protons is called protonation. Aromatic heterocycles are more basic than benzene due to the participation of heteroatoms. Compound: 2,6-Dichloropurine, is researched, Molecular C5H2Cl2N4, CAS is 5451-40-1, about Design, synthesis and biological evaluation of novel histone deacetylase1/2 (HDAC1/2) and cyclin-dependent Kinase2 (CDK2) dual inhibitors against malignant cancer. Author is Yun, Fan; Cheng, Chunhui; Ullah, Sadeeq; Yuan, Qipeng.

Designe and synthesis of series of novel histone deacetylase1/2 (HDAC1/2) and cyclin-dependent kinase2 (CDK2) dual inhibitors by integrating purine-based pharmacophore into the recognition cap group of CS055. The representative compound e.g., I [R1 = 4-MeC6H4] with excellent antiproliferative activities towards five solid cancer cells, showed potent inhibitory activities against HDAC1, HDAC2 and CDK2 with IC50 values of 70.7 nM, 23.1 nM and 0.80μM, resp. Besides, compound I could effectively block the cell cycle in the G2/M phase and induce apoptosis, which might be related to increasing intracellular ROS levels. Importantly, compound I exhibited desirable pharmacokinetic (PK) properties with the i.p. bioavailability of 50.8% in ICR mice, and potent in vivo antitumor activity in the HCT116 xenograft model. Therefore, compound I could be considered as a promising lead compound for the development of multitargeting anticancer agents.

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Oxazolidine – Wikipedia,
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Heterocyclic compounds can be divided into two categories: alicyclic heterocycles and aromatic heterocycles. Compounds whose heterocycles in the molecular skeleton cannot reflect aromaticity are called alicyclic heterocyclic compounds. Compound: 5451-40-1, is researched, Molecular C5H2Cl2N4, about 1,2,3-Triazoles as leaving groups in SNAr-arbuzov reactions: synthesis of C6-phosphonated purine derivatives, the main research direction is heptyl bisphenyltriazolyl purine regioselective nucleophilic aromatic substitution Arbuzov reaction; diethoxyphosphoryl heptyl triazolyl purine preparation; 2,6-bistriazolylpurines; Arbuzov reaction; nucleophilic aromatic substitution; purinylphosphonates.Formula: C5H2Cl2N4.

A new method for C-N bond transformations into C-P bonds was developed using 1,2,3-triazoles as leaving groups in SNAr-Arbuzov reactions. A series of C6-phosphonated 2-triazolylpurine derivatives I [R = methoxycarbnonyl, Bu, 2-pyridyl, etc.] was synthesized for the first time, with the isolated yields reaching up to 82% in the C-P-bond-forming event. The SNAr-Arbuzov reaction of 2,6-bistriazolylpurines follows the general regioselectivity pattern of the C6-position being more reactive towards substitution, which was unambiguously proved by X-ray anal. of I [R = phenyl].

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Oxazolidine – Wikipedia,
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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, Journal of Hazardous Materials called Bromination of carbon and formation of PBDD/Fs by copper bromide in oxidative thermal process, Author is Kojima, Yusuke; Fujimori, Takashi; Goto, Akitoshi; Shiota, Kenji; Kunisue, Tatsuya; Takaoka, Masaki, which mentions a compound: 7789-45-9, SMILESS is [Cu+2].[Br-].[Br-], Molecular Br2Cu, Related Products of 7789-45-9.

Brominated aromatic compounds are unintentionally generated during various thermal processes, including municipal solid waste incineration, elec.-waste open burning, and secondary copper smelting. Copper (Cu) plays an important role in the formation of brominated aromatic compounds In the present study, the thermochem. behaviors of Cu and Br in model samples, including copper bromide (CuBr2) and activated carbon, were studied using in situ X-ray absorption near-edge structure (XANES) and thermogravimetry. Quantification of polybrominated dibenzo-p-dioxins/furans (PBDD/Fs) was also conducted by gas chromatograph-high resolution mass spectrometer. Three key reactions were identified: (i) the reduction of CuBr2 to CuBr (room temperature to 300°C), (ii) the generation of Br bonded with aromatic carbon (150-350°C), and (iii) the oxidation of copper (>350°C). Maximum amounts of PBDD/Fs were found in residual solid phase after heating at 300°C. The anal. results indicated the direct bromination of aromatic carbon by the debromination of copper bromides (I, II) and that CuBr and CuO acted as catalysts in the oxidation of the carbon matrix. The bromination mechanisms revealed in this study are essential to the de novo formation of PBDD/Fs and other brominated aromatic compounds

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Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

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 Reaction of 4,6-dihydroxypyrimidines with bisulfite ion. III. Reactions of 2- and 5-substituted 4,6-dihydroxypyrimidines with the participation of bisulfite ion.Quality Control of 6-Hydroxy-2-methylpyrimidin-4(3H)-one.

Bisulfite catalyzed the hydrolysis of I (R = H, R1 = MeS) to barbituric acid and the debromination of I (R = Br, R1 = H). The debromination occurred via the bisulfite adduct. UV and 13C NMR data were given.

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Oxazolidine – Wikipedia,
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The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 2,6-Dichloropurine, is researched, Molecular C5H2Cl2N4, CAS is 5451-40-1, about Identification of a potent and selective phosphatidylinositol 3-kinase δ inhibitor for the treatment of non-Hodgkin′s lymphoma, the main research direction is non hodgkins lymphoma PIP3 delta antiproliferative apoptosis; Antiproliferative; Apoptosis; Non Hodgkin’s lymphoma; PI3Kδ inhibitor; Piperazinone; Purine.Related Products of 5451-40-1.

PI3Kδ has proved to be an effective target for anti-lymphoma drugs. However, the application of current approved PI3Kδ inhibitors has been greatly limited due to their specific immune-mediated toxicity and increased risk of infection, it is necessary to develop more PI3Kδ inhibitors with new scaffold. In this study, SAR study with respect to piperazinone-containing purine derivatives led to the discovery of a potent and selective PI3Kδ inhibitor, 4-(cyclobutanecarbonyl)-1-((2-(2-ethyl-1H-benzo[d]imidazol-1-yl)-9-methyl-6-morpholino-9H-purin-8-yl)methyl)piperazin-2-one (WNY1613). WNY1613 exhibits good antiproliferative activity against a panel of non-Hodgkin′s lymphoma (NHL) cell lines by inducing cancer cell apoptosis and inhibiting the phosphorylation of PI3K and MAPK downstream components. In addition, it can also prevent the tumor growth in both SU-DHL-6 and JEKO-1 xenograft models without observable toxicity. WNY1613 thus could be developed as a promising candidate for the treatment of NHL after subsequent extensive pharmacodynamics and pharmacokinetics investigation.

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Oxazolidine – Wikipedia,
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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 Synthesis and biological evaluation of 2-chloro-3-[(thiazol-2-yl)amino]-1,4-naphthoquinones, published in 2019-07-01, which mentions a compound: 70-23-5, Name is Ethyl 3-bromo-2-oxopropanoate, Molecular C5H7BrO3, Synthetic Route of C5H7BrO3.

A series of novel, substituted 2-chloro-3-[(thiazol-2-yl)amino]-1,4-naphthoquinones have been prepared and shown to exhibit promising concentration-dependent activity against human SH-SY5Y cells, Plasmodium falciparum, Mycobacterium tuberculosis and P. aeruginosa. Substituent effects on observed bioactivity have been explored; the para-fluorophenyl derivative I exhibited activity across the range of the bioassays employed, indicating the potential of the 2-chloro-3-[(4-arylthiazol-2-yl)amino]-1,4-naphthoquinone scaffold in the development of novel, broad spectrum therapeutics.

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Oxazolidine – Wikipedia,
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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.Yoneyama, Hiroshi; Kobayashi, Satoshi; Okachi, Ryo researched the compound: 1-(4-(4-Hydroxyphenyl)piperazin-1-yl)ethanone( cas:67914-60-7 ).Recommanded Product: 67914-60-7.They published the article 《Studies on antimicrobial activity of ketoconazole (KW-1414). VI. In vitro antifungal and antibacterial activity of ketoconazole (KW-1414) and its analogs》 about this compound( cas:67914-60-7 ) in Shinkin to Shinkinsho. Keywords: ketoconazole analog microbicide; bactericide ketoconazole derivative; fungicide ketoconazole derivative. We’ll tell you more about this compound (cas:67914-60-7).

Antifungal activities of structural analogs and metabolites of the synthetic antifungal agent ketoconazole (KCZ; KW-1414) (I) were investigated. R-39519 (desacetyl derivative) and R-44319 (trans isomer) had less antifungal activity against Candida species and dermatophytes than did I. HLI-151 (oxidized derivative) had no antifungal activity against any of the yeasts or fungi. Two known physiol. metabolites of I, R-43568 and T-1141, also showed no antifungal activity. I, R-39519, R-43568, and T-1141 showed no antibacterial activity against 12 strains of Lactobacillus species which are normal flora of the vagina. In blood of human volunteers administered orally 200 mg of I, no antifungal activity was detected except for I by bioautog. seeded with Kluyveromyces fragilis. In human urine of the same volunteers, no antifungal activity was detected by the bioautog.

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Bagli, Jehan; Bogri, T.; Palameta, B.; Rakhit, S.; Peseckis, S.; McQuillan, J.; Lee, D. K. H. published the article 《Chemistry and positive inotropic effect of pelrinone and related derivatives. A novel class of 2-methylpyrimidones as inotropic agents》. Keywords: inotropic activity aminomethylpyrimidinone preparation; chronotropic activity aminomethylpyridinone; cardiotonic activity aminomethylpyrimidinone; mol structure cardiotonic activity; crystal structure cyanomethylpyridylmethylaminopyrimidinone salt.They researched the compound: 6-Hydroxy-2-methylpyrimidin-4(3H)-one( cas:1194-22-5 ).Synthetic Route of C5H6N2O2. 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.

Novel pyrimidine derivatives (e.g., I; R = cyano, R1 = 3-pyridylmethyl) were synthesized and evaluated for pos. inotropic activity. Thus, (MeS)2C:C(CN)CO2Me cyclocondensed with MeC(:NH)NH2·HCl to give cyano methyl(methythio)dihydropyrimidinone II, which was treated with 3-(aminomethyl)pyridine to give 48% I (R = cyano, R1 = 3-pyridylmethyl). Inotropic and chronotropic effects were determined in vitro in cat papillary muscle and right atrium, resp. Selected compounds were then evaluated in vivo in a dog heart failure model. Changes in ventricular dP/dt, heart rate, and blood pressure were monitored. Several of these agents produced relatively minor changes in heart rate. This class of agents demonstrated a varying degree of vasodilator effects concomitant with increases in ventricular contractility. The most potent analogs, I (R = cyano, R1 = 3-pyridylmethyl; R = Br, R1 = Et, 3-pyridylmethyl), were evaluated orally in conscious dogs with implanted Konisberg pressure transducers, and their effect on left ventricular dP/dt was compared with that of milrinone. Mechanistically, the agents of this novel class appear not to mediate their effect either via β-receptors or inhibition of Na+/K+-ATPase. A major component of their inotropic effect is mediated by the inhibition of cardiac phosphodiesterase (PDE)-Fr. III. This was clearly demonstrated by I. Compound I (R = Br, R1 = 3-pyridylmethyl) was found to be the most potent inhibitor of PDE-Fr. III from among the compounds tested in this assay. The crystal structure of I (R = cyano, 3-pyridylmethyl)·HBF4 is also reported.

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem