Day: April 6, 2022

Related Products of 1194-22-5. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 6-Hydroxy-2-methylpyrimidin-4(3H)-one, is researched, Molecular C5H6N2O2, CAS is 1194-22-5, about Reaction of sulfate radical anion (SO4•-) with hydroxy- and methyl-substituted pyrimidines: A pulse radiolysis study. Author is Luke, T. L.; Mohan, H.; Manoj, V. M.; Manoj, P.; Mittal, J. P.; Aravindakumar, C. T..

Reactions of sulfate radical anion with 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 at pH 3 and at pH 10. The transient intermediate spectra were compared with those from the reaction of hydroxyl radical. It is proposed that sulfate radical anion produces radical cations of these pyrimidines in the initial stage. These radical cations are short-lived except in the case of DMHP where a relatively longer lived radical cation is proposed to be formed. When there is a hydrogen atom attached to the N(1) or N(3) position, a deprotonation from these sites is highly favored. When there is no hydrogen attached to these sites, deprotonation from a substituted Me group is favored. At acidic pH, deprotonation from nitrogen is observed for DHMP, MU and DMU. At basic pH, the radical cation reacts with OH- leading to the formation of OH adducts.

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

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.Lew-Yee, Juan Felipe Huan; Piris, Mario; del Campo, Jorge M. researched the compound: Oxazole( cas:288-42-6 ).Application of 288-42-6.They published the article 《Resolution of the identity approximation applied to PNOF correlation calculations》 about this compound( cas:288-42-6 ) in arXiv.org, e-Print Archive, Physics. Keywords: cycloalkane piris natural orbital functional correlation calculation electronic energy. We’ll tell you more about this compound (cas:288-42-6).

In this work, the required algebra to employ the resolution of the identity approximation within piris natural orbital functional (PNOF) is developed, leading to an implementation named DoNOF-RI. The arithmetic scaling is reduced from fifth-order to fourth-order, and the memory scaling is reduced from fourth-order to third-order, allowing significant computational time savings. After the DoNOF-RI calculation has fully converged, a restart with four-center electron repulsion integrals can be performed to remove the effect of the auxiliary basis set incompleteness, quickly converging to the exact result. The proposed approach has been tested on cycloalkanes a nd other mols. of general interest to study the numerical results as well as the speed-ups achieved by PNOF7-RI when compared with PNOF7.

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

Name: 2,6-Dichloropurine. 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: 2,6-Dichloropurine, is researched, Molecular C5H2Cl2N4, CAS is 5451-40-1, about Design, synthesis and biological evaluation of novel benzothiadiazine derivatives as potent PI3Kδ-selective inhibitors for treating B-cell-mediated malignancies. Author is Ma, Xiaodong; Wei, Jun; Wang, Chang; Gu, Dongyan; Hu, Yongzhou; Sheng, Rong.

A series of 24 benzothiadiazine derivatives I (R1 = Ph, 4-F-Ph, 3-CF3-Ph, etc; R2 = H, F, Cl; R3 = Me, Et; R4 = H, F, Cl), II, III (R5 = Ph, 4-F-Ph, 4-OCF3-Ph, 3-Py; R6 = H, F) with structural novelty were designed, synthesized and biol. evaluated as PI3Kδ-selective inhibitors. Structure-activity relationship (SAR) study showed that, compounds I (R1 = Ph; R2 = Cl; R3 = Et; R4 = H) and II (R2 = Cl; R3 = Me) were identified with single-digit nanomolar IC50 values against PI3Kδ and submicromolar GI50 values against human malignant B-cell line SU-DHL-6. Furthermore, chiral resolution of the key amine intermediate of these two compounds was performed to achieve corresponding enantiomers. Compounds (S)-3-(1-((9H-purin-6-yl)amino)ethyl)-8-chloro-2-phenyl-2Hbenzo[e][1,2,4]thiadiazine 1,1-dioxide(IC50: 4.6 nM) and (S)-4-amino-6-((1-(8-chloro-1,1-dioxido-2-phenyl-2H-benzo[e][1,2,4]thiadiazin-3-yl)ethyl)amino)pyrimidine-5-carbonitrile(IC50: below 0.32 nM) demonstrated comparable and superior PI3Kδ inhibitory activity, resp., to that of idelalisib. Addnl., both the compounds exerted enhanced anti-proliferative activity against the SU-DHL-6 cell line than that of idelalisib and they exhibited excellent PI3Kδ selectivity. The in vivo pharmacokinetic (PK) study revealed that (S)-3-(1-((9H-purin-6-yl)amino)ethyl)-8-chloro-2-phenyl-2Hbenzo[e][1,2,4]thiadiazine 1,1-dioxide displayed good plasma exposure and an acceptable oral bioavailability of 29.2% and can further be developed as a potential therapeutic agent for battling B-cell-mediated malignancies.

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

Related Products of 70-23-5. 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 Ionic liquid promoted green synthesis of new pyridazino benzazepine derivatives: Evaluation of antioxidant activity. Author is Dehbandi, Behnam; Hossaini, Zinatossadat; Mirjafari, Zohreh; Zardoost, Mohammad Reza.

In this research, preparation of pyridazino benzazepine derivatives I (R = H, methoxycarbonyl, ethoxycarbonyl; R1 = ethoxycarbonyl, 4-chlorophenyl, 4-methylphenyl, etc.; X = H, Me, Cl, NO2) in high yields were investigated via the domino and one-pot reaction of isatoic anhydrides II, N-methylimidazole, alkyl bromides R1C(O)CH2Br, activated acetylenic compounds RCCC(O)OR2 (R2 = Me, Et), and hydrazine in ionic liquid as green media at 80°C. Also, antioxidation property of some prepared pyridazino benzazepines I due to having pyridazine and benzazepine core is investigated by employing of trapping diphenyl-picrylhydrazine radical and ability of ferric reduction experiment This procedure has a few benefits relative to reported method such as good rate of reaction, product with high efficiency, and simple separation of product from mixture of reaction.

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: Ethyl 3-bromo-2-oxopropanoate(SMILESS: O=C(OCC)C(CBr)=O,cas:70-23-5) is researched.Product Details of 17927-65-0. The article 《Synthesis and evaluation of antioxidant and antimicrobial activity of new spiropyrrolopyrrolizine compounds: Using Fe3O4/TiO2/Multiwall carbon nanotubes (MWCNTs) magnetic nanocomposites》 in relation to this compound, is published in Applied Organometallic Chemistry. Let’s take a look at the latest research on this compound (cas:70-23-5).

The Fe3O4/TiO2/multiwall carbon nanotubes (MWCNTs) magnetic nanocomposites was synthesized using water extract of Spinacia oleracea leaves, and the high performance of synthesized catalyst was confirmed by employing of it in the multicomponent reaction of reaction of isatoic anhydride, tert-butylisocyanide, diamines, or hydroxyamines, electron-deficient acetylenic ester, α-haloketones and Et3N in water at ambient temperature for the production of new spiropyrrolopyrrolizine compounds in high yields. This catalyst could be used several times in these reactions and have main role in the yield of product. The synthesized compounds have NH and OH group in their structure and for this reason have good antioxidant activity. Also, employing Gram-pos. and Gram-neg. bacteria in the disk diffusion procedure confirmed the some spiropyrrolopyrrolizine derivatives antimicrobial effect. The results showed that synthesized compounds prevented the bacterial growth. This used procedure for preparation of spiropyrrolopyrrolizine derivatives have some advantages such as low reaction time, product with high yields and simple separation of catalyst and products.

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

Reference of 6-Hydroxy-2-methylpyrimidin-4(3H)-one. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 6-Hydroxy-2-methylpyrimidin-4(3H)-one, is researched, Molecular C5H6N2O2, CAS is 1194-22-5, about Modeling & simulation of micro reactor with nitration of 2-methyl-4,6-dihydroxy-pyrimidine. Author is Mandal, Alok Kumar; Pandey, Raj Kishore; Asthana, Shri Nandan; Kulkarni, Amol; Kulkarni, Bhaskar Dattatraya.

Nitration of 2-methyl-4,6-dihydroxypyrimidine (MDP) using concentrated sulfuric acid and nitric acid as nitrating mixture is a highly exothermic and hazardous reaction. Conducting such reaction in a batch reactor follow an unsteady state and its trajectory depends on various important parameters such as initial reactor temperature, initial composition of reaction mass, temperature of circulating coolant, etc. However, over all productivity, process control, and safety of the batch process is highly restricted due to lower surface to volume ratio. In the present work, an effort was made to over come the limitations of batch reactor by using the novel micro reactor device. Micro reactor is having extremely high surface to volume ratio, which was explored to carry out nitration of MDP both numerically as well as exptl. and the results were compared with conventional batch reactor. The micro reaction system was modeled using two dimensional (2-D) heat flow and mass transfer equations. The kinetic rate equation for nitration of MDP has evaluated exptl. by differential method which is used in modeling of the micro reactor. The numerical results from the 2-D model for conversion and temperature profile along the length and radius of micro reactor were compared with corresponding results obtained from batch reactor. In order to validate the model, several experiments were conducted in micro reactor set-up with the variation of flow rate, residence time, concentration, temperature, etc. The exptl. results from micro reactor revealed that nitration of MDP takes place even at much lower concentration and lower residence time with better control of temperature profile. Also, the reaction takes place in laminar region compared to turbulent region in corresponding batch reactor setup.

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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, Research Support, Non-U.S. Gov’t, Journal of Antimicrobial Chemotherapy called Repurposing ethyl bromopyruvate as a broad-spectrum antibacterial, Author is Kumar, Ajay; Boradia, Vishant Mahendra; Thakare, Ritesh; Singh, Alok Kumar; Gani, Zahid; Das, Swetarka; Patidar, Anil; Dasgupta, Arunava; Chopra, Sidharth; Raje, Manoj; Raje, Chaaya Iyengar, which mentions a compound: 70-23-5, SMILESS is O=C(OCC)C(CBr)=O, Molecular C5H7BrO3, Synthetic Route of C5H7BrO3.

Background: The emergence of drug-resistant bacteria is a major hurdle for effective treatment of infections caused by Mycobacterium tuberculosis and ESKAPE pathogens. In comparison with conventional drug discovery, drug repurposing offers an effective yet rapid approach to identifying novel antibiotics. Methods: Et bromopyruvate was evaluated for its ability to inhibit M. tuberculosis and ESKAPE pathogens using growth inhibition assays. The selectivity index of Et bromopyruvate was determined, followed by time-kill kinetics against M. tuberculosis and Staphylococcus aureus. We first tested its ability to synergize with approved drugs and then tested its ability to decimate bacterial biofilm. Intracellular killing of M. tuberculosis was determined and in vivo potential was determined in a neutropenic murine model of S. aureus infection. Results: We identified Et bromopyruvate as an equipotent broad-spectrum antibacterial agent targeting drug-susceptible and -resistant M. tuberculosis and ESKAPE pathogens. Et bromopyruvate exhibited concentration-dependent bactericidal activity. In M. tuberculosis, Et bromopyruvate inhibited GAPDH with a concomitant reduction in ATP levels and transferrin-mediated iron uptake. Apart from GAPDH, this compound inhibited pyruvate kinase, isocitrate lyase and malate synthase to varying extents. Et bromopyruvate did not neg. interact with any drug and significantly reduced biofilm at a 64-fold lower concentration than vancomycin. When tested in an S. aureus neutropenic thigh infection model, Et bromopyruvate exhibited efficacy equal to that of vancomycin in reducing bacterial counts in thigh, and at 1/25th of the dosage. Conclusions: Et bromopyruvate exhibits all the characteristics required to be positioned as a potential broad-spectrum antibacterial agent.

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Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

Most of the natural products isolated at present are heterocyclic compounds, so heterocyclic compounds occupy an important position in the research of organic chemistry. A compound: 1194-22-5, is researched, SMILESS is CC1=NC(=CC(N1)=O)O, Molecular C5H6N2O2Journal, Journal of Heterocyclic Chemistry called Ylides of heterocycles. VII. Iodonium-, nitrogen-, phosphonium-, and sulfonium-ylides of pyrimidones, Author is Habib, Nargues Samuel; Kappe, Samuel, the main research direction is pyrimidinone ylide; iodonium ylide pyrimidinone; phosphonium ylide pyrimidinone; sulfonium ylide pyrimidinone; pyridinium ylide pyrimidinone; isoquinolinium ylide pyrimidinone.Electric Literature of C5H6N2O2.

Reaction of pyrimidinone I (R = OH; R1 = H, Me, Ph, R2 = H; R1 = R2 = Ph; R3 = H) with PhIO prepared in situ gave iodonium ylides I (R = O-, R3 = PhI+; II) in good yield. Thermal rearrangement of II gave I (R = OPh; R3 = iodo), which were deiodinated to give I (R = OPh, R3 = H). Treatment of II with pyridine, nicotinamide, isoquinoline, Ph3P, or thiophene gave the corresponding N, P, or S ylides. The pyridinium ylides were also prepared from I (R = OH, R1 = Br, Cl) which were prepared from II by treatment with HBr or HCl, resp.

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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: Ethyl 3-bromo-2-oxopropanoate, is researched, Molecular C5H7BrO3, CAS is 70-23-5, about Biosynthesis of Fe3O4-magnetic nanoparticles using clover leaf aqueous extract: Green synthesis of 1,3-benzoxazole derivatives.Category: oxazolidine.

In this research, magnetic Fe3O4-NP nanoparticles were synthesized employing a green biosynthetic procedure by reduction of ferric chloride solution with clover leaf water extract The nanoparticles prepared via this biosynthesis method can potentially be valuable for different purposes such as organic synthesis. In this research, 1,3-benzoxazole derivatives were generated via a multicomponent reaction of α-bromo ketones, isothiocyanate, and propiolate in the presence of a catalytic amount of bio-Fe3O4 MNPs and sodium hydride in water at 50°C in good yields. The catalyst was reused five times with a minor decrease in its catalytic activity.

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Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

Most of the natural products isolated at present are heterocyclic compounds, so heterocyclic compounds occupy an important position in the research of organic chemistry. A compound: 7789-45-9, is researched, SMILESS is [Cu+2].[Br-].[Br-], Molecular Br2CuJournal, ACS Macro Letters called Activation of Antibiotic-Grafted Polymer Brushes by Ultrasound, Author is Zou, Miancheng; Zhao, Pengkun; Huo, Shuaidong; Goestl, Robert; Herrmann, Andreas, the main research direction is antibiotic polymer brush ultrasound.Name: Cupric bromide.

The ultrasound-mediated activation of drugs from macromol. architectures using the principles of polymer mechanochem. (sonopharmacol.) is a promising strategy to gain spatiotemporal control over drug activity. Yet, conceptual challenges limit the applicability of this method. Especially low drug-loading content and low mechanochem. efficiency require the use of high carrier mass concentrations and prolonged exposure to ultrasound. Moreover, the activated drug is generally shielded by the hydrodynamic coil of the attached polymer fragment leading to a decreased drug potency. Here we present a carrier design for the ultrasound-induced activation of vancomycin, which is deactivated with its H-bond-complementary peptide target sequence. We show that the progression from mechanophore-centered linear chains to mechanophore-decorated polymer brushes increases drug-loading content, mechanochem. efficiency, and drug potency. These results may serve as a design guideline for future endeavors in the field of sonopharmacol.

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Oxazolidine – Wikipedia,
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