Month: April 2022

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 Current Scenario of 1,3-oxazole Derivatives for Anticancer Activity, the main research direction is review oxazole anticancer agent neoplasm; 1; 3-oxazole; Anticancer; Drug-resistant; Drug-susceptible; Heterocycles; Mechanisms of action.Synthetic Route of C3H3NO.

A review. Cancer, which has been cursed for human beings for long time is considered as one of the leading causes of morbidity and mortality across the world. In spite of different types of treatments available, chemotherapy is still deemed as a favored treatment for the cancer. Unfortunately, many currently accessible anticancer agents have developed multidrug resistance along with fatal adverse effects. Therefore, intensive efforts have been made to seek for new active drugs with improved anticancer efficacy and reduced adverse effects. In recent years, the emergence of heterocyclic ring-containing anticancer agents has gained a great deal of attention among medicinal chemists. 1,3- oxazole is a versatile heterocyclic compound, and its derivatives possess broad-spectrum pharmacol. properties, including anticancer activity against both drug-susceptible, drug-resistant and even multidrug-resistant cancer cell lines through multiple mechanisms. Thus, the 1,3-oxazole moiety is a useful template for the development of novel anticancer agents. This review will provide a comprehensive overview of the recent advances on 1,3-oxazole derivatives with potential therapeutic applications as anticancer agents, focus on the chem. structures, anticancer activity, and mechanisms of action.

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

Computed Properties of C12H16N2O2. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 1-(4-(4-Hydroxyphenyl)piperazin-1-yl)ethanone, is researched, Molecular C12H16N2O2, CAS is 67914-60-7, about Electrochemical synthesis of a new phosphonium betaine. Kinetic evaluation and antibacterial susceptibility. Author is Daneshyar, Anahita; Nematollahi, Davood; Varmaghani, Fahimeh; Goljani, Hamed; Alizadeh, Hojjat.

Cyclic voltammetry, controlled-potential coulometry, chronoamperometry, chronocoulometry and chronopotentiometry methods were used for the electrochem. study of 1-acetyl-4-(4-hydroxyphenyl)piperazine (APIP) in the presence of PPh3 (TPP) as a nucleophile. Electrochem. generated APIPox can serve as a Michael acceptor for nucleophilic attack by TPP to yield a new phosphonium betaine (APTP). The authors prepared a new product in good yield and purity by reaction of TPP with APIPox in an undivided cell equipped with C anode. Based on an EC mechanism, the observed homogeneous rate constant (kobs) of the Michael addition reaction of APIPox with TPP were estimated by comparing the exptl. cyclic voltammograms with the digital simulated results. Also, electrochem. oxidation of APIP was studied both exptl. and theor. to provide insight into the influence of natural charge and thermodn. stability parameters on the type of chem. reaction which follows APIPox. The synthesized compound was evaluated for in vitro antibacterial.

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Reference:
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 Synthesis, characterization, crystal structures, and the biological evaluation of 2-phenylthiazole derivatives as cholinesterase inhibitors, published in 2021-05-31, which mentions a compound: 70-23-5, Name is Ethyl 3-bromo-2-oxopropanoate, Molecular C5H7BrO3, Application of 70-23-5.

Four 2-phenylthiazole derivatives I [R = 4-methylpiperazin-1-yl, 2-morpholin-4-yl-Et, 3,5-dimethylpiperidin-1-yl, etc.] were synthesized, characterized and evaluated as cholinesterase inhibitors. The structures of the 2-phenylthiazole derivatives were confirmed by 1H and 13C NMR spectroscopy, single-crystal X-ray diffraction studies, and Hirshfeld surfaces anal. Hirshfeld surface anal. of the prepared compounds showed C-H···O intermol. interactions. The cholinesterase inhibition activities of the synthesized compounds were tested by Ellman’s method. Compound I [R = 3,5-dimethylpiperidin-1-yl] showed the best acetylcholinesterase inhibition activity with an IC50 value of 8.86μM and the best butyrylcholinesterase inhibition activity with an IC50 value of 1.03μM. A docking study demonstrated that the same compound interacted with the catalytic anionic site and peripheral anionic site of acetylcholinesterase and the catalytic anionic site of butyrylcholinesterase.

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

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 Electrophotocatalytic C-H Functionalization of Ethers with High Regioselectivity, published in 2020-01-29, which mentions a compound: 5451-40-1, mainly applied to electrophotocatalytic regioselective functionalization ether, Recommanded Product: 5451-40-1.

The highly regioselective electrophotocatalytic C-H functionalization of ethers is described. These reactions are catalyzed by a trisaminocyclopropenium (TAC) ion at mild electrochem. potential with visible light irradiation Ethers undergo oxidant-free coupling with isoquinolines, alkenes, alkynes, pyrazoles, and purines with typically high regioselectivity for the less-hindered α-position. The reaction is proposed to operate via hydrogen atom transfer (HAT) from the substrate to the photoexcited TAC radical dication, thus demonstrating a new reactivity mode for this electrophotocatalyst.

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Reference:
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 Orientation effects on C2(5)-C2′(5′) linked bioxazole isomers synthesized via regioselective and sequential C-H arylation, published in 2021-01-31, which mentions a compound: 288-42-6, Name is Oxazole, Molecular C3H3NO, SDS of cas: 288-42-6.

Bis(4-fluorophenyl) substituted oxazole (2,5-Oxz) and C2(5)-C2′(5′) linked bioxazole isomers (C2-C2’_BOxz, C2-C5’_BOxz and C5-C5’_BOxz) (I – IV, resp.) were concisely synthesized via palladium-catalyzed regioselective and sequential C-H arylation in 1-3 reaction steps along with 20%-83% of total yields from oxazole and 4-bromofluorobenzene. The linking orientation plays a key role in the packing geometry and photophys. properties of C2-C2’_BOxz, C2-C5’_BOxz and C5-C5’_BOxz. These bioxazole isomers in solid state showed significant differences in photoluminescence quantum yields (PLQY) (0.33, 0.25 and 0.04, resp.), delayed fluorescence properties and powder X-ray diffraction (PXRD) patterns, suggesting the divergence in intermol. interactions. The theor. calculated gradient isosurfaces and complexation energies indicate the existence of intense π-π interactions between mol. layers, which are in good agreement with the variation trend of optical properties.

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Reference:
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 Structure-Activity Relationships of a Series of Pyrrolo[3,2-d]pyrimidine Derivatives and Related Compounds as Neuropeptide Y5 Receptor Antagonists.Reference of 6-Hydroxy-2-methylpyrimidin-4(3H)-one.

Neuropeptide Y (NPY) has been shown to play an important role in the regulation of food intake and energy balance. Pharmacol. data suggests that the Y5 receptor subtype contributes to the effects of NPY on appetite, and therefore a Y5 antagonist might be a useful therapeutic agent for the treatment of obesity. In attempts to identify potential Y5 antagonists, a series of pyrrolo[3,2-d]pyrimidine derivatives was prepared and evaluated for their ability to bind to Y5 receptors in vitro. The authors report here the synthesis and initial structure-activity relation investigations for this class of compounds The target compounds were prepared by a variety of synthetic routes designed to modify both the substitution and the heterocyclic core of the pyrrolo[3,2-d]pyrimidine lead compound (I). In addition to identifying several potent Y5 antagonists for evaluation as potential antiobesity agents, a pharmacophore model for the human Y5 receptor is presented.

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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: 2,6-Dichloropurine(SMILESS: C2=NC1=C(C(=NC(=N1)Cl)Cl)[NH]2,cas:5451-40-1) is researched.Category: oxazolidine. The article 《Multifunctional lipophilic purines: a coping strategy for anti-counterfeiting, lipid droplet imaging and latent fingerprint development》 in relation to this compound, is published in Materials Chemistry Frontiers. Let’s take a look at the latest research on this compound (cas:5451-40-1).

Nowadays, multifunctional materials based on fluorescent small mols. have bright prospects for the development of materials science. However, those materials, based on purine derivatives in particular, still face challenges and need to be further explored. In this study, a new multifunctional small mol. (CDP) based on the purine skeleton was readily synthesized, and its lipophilicity and fluorescence properties were improved by introducing dodecyl groups and carbazole groups. CDP could not only be assembled as anti-counterfeiting inks with waterproofing, ideal light stability and good fluorescence contrast, but also be applied in lipid droplet imaging of living cells. More importantly, CDP provided a simple, efficient, and widely applicable visualization method of latent fingerprints and achieved information extraction down to a minutiae level of latent fingerprints on multiple substrates. Overall, the present work supplied a new strategy for the development of multifunctional fluorescent mol. materials in mol. design and practical applications.

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

Category: oxazolidine. 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: Oxazole, is researched, Molecular C3H3NO, CAS is 288-42-6, about Nickel-catalyzed cross-electrophile coupling of aryl bromides and cyclic secondary alkyl bromides with spiro-bidentate-pyox ligands. Author is Gao, Nanxing; Li, Yanshun; Cao, Guorui; Teng, Dawei.

The cross-electrophile coupling of aryl bromides RBr [R = Ph, 4-(ethoxycarbonyl)phenyl, 1-(1H-indol-1-yl)ethan-1-one, etc.] and cyclic secondary alkyl bromides I [R1 = ethoxycarbonyl, (benzyloxy)carbonyl, (4-methylbenzene)sulfonyl, etc., X = (CH2)n, n = 1, 2] catalyzed by nickel/spiro-bidentate-pyox ligands, e.g., II, with lithium chloride as the additive for the Csp2-Csp3 bond formation is reported. The reaction could tolerate functional groups such as sulfonamide, ester, aldehyde, ketone, protected indolyl, tert-butoxycarbonyl, aryl nitriles and aryl chloride. Various aryl-cyclic secondary alkyl Csp2-Csp3 bond products, e.g., III, were synthesized under optimal reaction conditions (19 examples).

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

COA of Formula: C5H7BrO3. 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: Ethyl 3-bromo-2-oxopropanoate, is researched, Molecular C5H7BrO3, CAS is 70-23-5, about A selective “”turn-on”” sensor for recognizing In3+ and Zn2+ in respective systems based on imidazo[2,1-b]thiazole. Author is Xu, Yuankang; Zhao, Songfang; Zhang, Yanxia; Wang, Hanyu; Yang, Xiaofeng; Pei, Meishan; Zhang, Guangyou.

A new simple and easily synthesized multitarget sensor, (E)-N′-(4-(diethylamino)-2-hydroxybenzylidene)imidazo[2,1-b]thiazole-6-carbohydrazide (X), was designed and synthesized using imidazo[2,1-b]thiazole-6-carboxylic acid and 4-(diethylamino)-2-hydroxybenzaldehyde. X could be used as a sensor to detect In3+ in DMF-H2O buffer solution and detect Zn2+ in EtOH-H2O buffer solution through fluorescence enhancement with detection limits of 1.02 × 10-9 M and 5.5 × 10-9 M, resp. X exhibited an efficient “”off-on-off”” fluorescence behavior by cyclic addition of metal ions (In3+ and Zn2+) and EDTA. The stoichiometry between X and metal ions (In3+ and Zn2+) was 1 : 1. The binding mode and sensing mechanism of X with metal ions (In3+ and Zn2+) was verified by theor. calculations using Gaussian 09 based on B3LYP/6-31G(d) and B3LYP/LANL2DZ basis, resp. Moreover, X could be applied as a potential sensor for the quant. detection of In3+ and Zn2+ with a satisfactory recovery and relative standard deviation (RSD) in real water samples.

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

An, Seungchan; Kim, Gyudong; Kim, Hyun Jin; Ahn, Sungjin; Kim, Hyun Young; Ko, Hyejin; Hyun, Young Eum; Nguyen, Mai; Jeong, Juri; Liu, Zijing; Han, Jinhe; Choi, Hongseok; Yu, Jinha; Kim, Ji Won; Lee, Hyuk Woo; Jacobson, Kenneth A.; Cho, Won Jea; Kim, Young-Mi; Kang, Keon Wook; Noh, Minsoo; Jeong, Lak Shin published an article about the compound: 2,6-Dichloropurine( cas:5451-40-1,SMILESS:C2=NC1=C(C(=NC(=N1)Cl)Cl)[NH]2 ).Formula: C5H2Cl2N4. 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:5451-40-1) through the article.

Following our report that A3 adenosine receptor (AR) antagonist 1 exhibited a polypharmacol. profile as a dual modulator of peroxisome proliferator-activated receptor (PPAR)γ/δ, we discovered a new template, 1′-homologated adenosine analogs 4a-4t, as dual PPARγ/δ modulators without AR binding. Removal of binding affinity to A3AR was achieved by 1′-homologation, and PPARγ/δ dual modulation was derived from the structural similarity between the target nucleosides and PPAR modulator drug, rosiglitazone. All the final nucleosides were devoid of AR-binding affinity and exhibited high binding affinities to PPARγ/δ but lacked PPARα binding. 2-Cl derivatives exhibited dual receptor-binding affinity to PPARγ/δ, which was absent for the corresponding 2-H derivatives 2-Propynyl substitution prevented PPARδ-binding affinity but preserved PPARγ affinity, indicating that the C2 position defines a pharmacophore for selective PPARγ ligand designs. PPARγ/δ dual modulators functioning as both PPARγ partial agonists and PPARδ antagonists promoted adiponectin production, suggesting their therapeutic potential against hypoadiponectinemia-associated cancer and metabolic diseases.

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem