Tag: M.W:100-200

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

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

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,
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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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Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

Ejaz, Saima; Nadeem, Humaira; Paracha, Rehan Zafar; Sarwar, Sadia; Ejaz, Sadaf published the article 《Designing, synthesis and characterization of 2-aminothiazole-4-carboxylate Schiff bases; antimicrobial evaluation against multidrug resistant strains and molecular docking》. Keywords: Escherichia Staphylococcus Candida aminothiazole antimicrobial mol docking; 2-Aminothiazole; Antifungal activity; Antimicrobial evaluation; Minimum inhibitory concentration; Molecular docking; Schiff bases.They researched the compound: Ethyl 3-bromo-2-oxopropanoate( cas:70-23-5 ).Reference of Ethyl 3-bromo-2-oxopropanoate. 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.

Background: 2-Aminothiazoles are significant class of organic medicinal compounds utilized as starting material for the synthesis of diverse range of heterocyclic analogs with promising therapeutic roles as antibacterial, antifungal, anti-HIV, antioxidant, antitumor, anthelmintic, anti-inflammatory & analgesic agents. Exptl.: Eight compounds 1a, 2a-2g were synthesized and characterized by FTIR and NMR (1H and 13C). Evaluation of antibacterial potential against multi-drug resistant clin. isolates was performed and min. inhibitory concentration (MIC) values were determined Antifungal activity was also performed. Protein-ligand interactions of compounds with target enzyme were evaluated through docking studies. Results: Resistance profiling of bacterial clin. isolates (MDRs) depicted that some standard drugs used were not active against these MDRs while our synthesized compounds showed good MIC values. Among all the synthesized compounds, 2a and 2b showed significant antibacterial potential towards gram-pos. Staphylococcus epidermidis and gram-neg. Pseudomonas aeruginosa at MIC 250 μg/mL and 375 μg/mL resp. Likewise, compound 2d and 2g exhibited inhibitory potential against gram-pos. Staphylococcus aureus and gram-neg. Escherichia coli at MIC values of 250 and 375 μg/mL resp. Compound 2b showed maximum antifungal potential against Candida glabrata (ATCC 62934) with a zone of inhibition 21.0 mm as compared to the reference drug nystatin which showed lesser antifungal potential with a zone of inhibition of 19.1 mm. Candida albicans (ATCC 60387) showed maximum sensitivity to compound 2a with a zone of inhibition 20.0 mm. Its antifungal activity is more in comparison to reference drug nystatin with exhibited the zone of inhibition of 19.3 mm. Designed compounds were docked with the target enzyme UDP-N-acetylmuramate/L-alanine ligase. The compound 2b showed highest binding affinity (- 7.6 kcal/mol). Conclusions: The synthesized compounds showed moderate to significant antibacterial and antifungal potential. It is clear from the binding affinities that compounds having hydroxyl group substituted on benzene ring possess strong binding affinity as compared to other analogs. These designed compounds could be considered to act as antagonists against target UDP-N-acetylmuramate/L-alanine ligase.

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Name: Ethyl 3-bromo-2-oxopropanoate. 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: Ethyl 3-bromo-2-oxopropanoate, is researched, Molecular C5H7BrO3, CAS is 70-23-5, about Bio-Fe3O4-MNPs catalyzed green synthesis of pyrrolo[2,1-a]isoquinoline derivatives using isoquinolium bromide salts: study of antioxidant activity. Author is Abbasi, Maryam; Zamani Hargalani, Fariba; Afrashteh, Siavash; Rostamian, Rezvaneh.

A novel, one-pot, efficient procedure with high yield for the synthesis of pyrrolo[2,1-a]isoquinoline derivatives I [R = ethoxycarbonyl, 4-methylphenyl, 4-bromophenyl, etc.; R1 = ethoxycarbonyl, 4-methylphenyl, 4-methoxyphenyl] using multi-component reaction of isoquinoline, alkyl bromides and triphenylphosphine in the presence of Fe3O4-MNPs as catalyst under solvent-free conditions at room temperature was investigated. This study highlighted an easy, simple, rapid and clean method for the preparation of pyrrolo[2,1-a]isoquinoline derivatives The Fe3O4-MNPs in these reactions were produced employing a green procedure by reduction of ferric chloride solution with pomegranate peel water extract Addnl., antioxidant activity was studied for the some newly synthesized compounds such as I [R1 = ethoxycarbonyl; R = ethoxycarbonyl, 4-methoxyphenyl, 4-methylphenyl, 4-bromophenyl]using the DPPH radical trapping and reducing potential of ferric ion experiments and comparing the results with the results of synthetic antioxidants (2-tert-butylhydroquinone, TBHQ; butylated hydroxytoluene, BHT). As a result, compounds [R1 = ethoxycarbonyl; R = ethoxycarbonyl, 4-methoxyphenyl, 4-methylphenyl, 4-bromophenyl] show trace DPPH radical trapping and excellent reducing power of ferric ion.

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Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

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 Anomalous high reactivity of formyl and acetone ketyl radicals with uracil and its derivatives, published in 1998-05-08, which mentions a compound: 1194-22-5, Name is 6-Hydroxy-2-methylpyrimidin-4(3H)-one, Molecular C5H6N2O2, Related Products of 1194-22-5.

CO2·- and (CH3)2·COH radicals apparently react with uracil and its derivatives, containing two carbonyl groups, with high rate constants (k=1010 dm3 mol-1 s-1). Various mechanistic aspects of such reactions have been probed. The effect of pH and buffer concentration on the initial formation of absorbance points to some keto-enol tautomerism-type fast-reaction between OH- and the substrate, followed by a slower relaxation to the original equilibrium The radical anions of these compounds react with Me viologen mainly via an electron transfer reaction with a high rate constant value (4-9)×109 dm3 mol-1 s-1.

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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, Journal of Heterocyclic Chemistry called Green Synthesis of Imidazole Derivatives using Fe3O4-MNPs as Reusable Catalyst, Author is Shafaei, Faezeh; Sharafian, Shirin, which mentions a compound: 70-23-5, SMILESS is O=C(OCC)C(CBr)=O, Molecular C5H7BrO3, Reference of Ethyl 3-bromo-2-oxopropanoate.

In this research, a one-pot, efficient, and high yielding procedure for the synthesis of imidazole derivatives I (R = H, Me; R1 = tert-Bu, Ph, 4-BrC6H4, etc.; R2 = COOEt, 4-MeOC6H4, 4-O2NC6H4) is investigated. The procedure was carried out via multicomponent reaction of isothiocyanate, alkyl bromides, N-methylimidazole, and triphenylphosphine in the presence of magnetic iron oxide nanoparticles (Fe3O4-MNPs) as reusable catalyst under solvent-free conditions at 50°. Also, Fe3O4-MNPs were produced using green synthetic method by reduction of ferric chloride solution with Clover Leaf water extract The nanoparticles generated using this procedure can potentially be important in different purposes such as organic synthesis. These procedures have some advantages such as easy separation of products, green conditions, and reusability and easy separation of catalyst.

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Oxazolidine – Wikipedia,
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Application of 5451-40-1. 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 Room-Temperature Amination of Chloroheteroarenes in Water by a Recyclable Copper(II)-Phosphaadamantanium Sulfonate System. Author is Parmar, Udaysinh; Somvanshi, Dipesh; Kori, Santosh; Desai, Aman A.; Dandela, Rambabu; Maity, Dilip K.; Kapdi, Anant R..

The current report discusses about an efficient copper-based catalytic system (Cu/PTABS) for the amination of chloroheteroarenes RCl (R = pyrazinyl, 1,3-benzothiazol-2-yl, 9H-purin-6-yl, etc.) at ambient temperature in water as the sole reaction solvent, a combination that is first to be reported. A wide variety of chloroheteroarenes could be coupled efficiently with primary and secondary amines, e.g., morpholine as well as selected amino acid esters, e.g., L-valine Me ester hydrochloride under mild reaction conditions. Catalytic efficiency of the developed protocol also promotes late-stage functionalization of active pharmaceutical ingredients, e.g., I (APIs) such as antibiotics (floxacins) and anticancer drugs. The catalytic system also performs efficiently at a very low concentration of 0.0001 mol% (TON = 980,000) and can be recycled 12 times without any appreciable loss in activity. Theor. calculations reveal that the π-acceptor ability of the ligand PTABS is the main reason for the appreciably high reactivity of the catalytic system. Preliminary characterization of the catalytic species in the reaction was carried out using UV-VIS and ESR spectroscopy, providing evidence for the Cu(II) oxidation state.

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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: Ethyl 3-bromo-2-oxopropanoate, is researched, Molecular C5H7BrO3, CAS is 70-23-5, about Small-molecule inhibitor of AF9/ENL-DOT1L/AF4/AFF4 interactions suppresses malignant gene expression and tumor growth, the main research direction is imidazole preparation malignant gene expression suppression antitumor; Cancer therapeutics; MLL-rearranged leukemia; Protein-protein interaction; Small-molecule inhibitor; Super elongation complexes.Reference of Ethyl 3-bromo-2-oxopropanoate.

Chromosome translocations involving mixed lineage leukemia (MLL) gene cause acute leukemia with a poor prognosis. MLL is frequently fused with transcription cofactors AF4 (~35%), AF9 (25%) or its paralog ENL (10%). The AHD domain of AF9/ENL binds to AF4, its paralog AFF4, or histone-H3 lysine-79 (H3K79) methyltransferase DOT1L. Formation of AF9/ENL/AF4/AFF4-containing super elongation complexes (SEC) and the catalytic activity of DOT1L are essential for MLL-rearranged leukemia. Protein-protein interactions (PPI) between AF9/ENL and DOT1L/AF4/AFF4 are therefore a potential drug target. Compound I was identified to be a novel small-mol. inhibitor of the AF9/ENL-DOT1L/ AF4/AFF4 interaction with IC50s of 0.9-3.5μM. Pharmacol. inhibition of the PPIs significantly reduced SEC and DOT1L-mediated H3K79 methylation in the leukemia cells. Gene profiling shows compound I significantly suppressed the gene signatures related to onco-MLL, DOT1L, HoxA9 and Myc. It selectively inhibited proliferation of onco-MLL- or Myc-driven cancer cells and induced cell differentiation and apoptosis. Compound I exhibited strong antitumor activity in a mouse model of MLL-rearranged leukemia. The AF9/ENL-DOT1L/AF4/AFF4 interactions are validated to be an anticancer target and compound I is a useful in vivo probe for biol. studies as well as a pharmacol. lead for further drug development.

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Oxazolidine – Wikipedia,
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