Heterocyclic Building Blocks-Oxazolidine

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 1-(4-(4-Hydroxyphenyl)piperazin-1-yl)ethanone(SMILESS: CC(N1CCN(C2=CC=C(O)C=C2)CC1)=O,cas:67914-60-7) is researched.Quality Control of Oxazole. The article 《Structure-Guided Design of a Series of MCL-1 Inhibitors with High Affinity and Selectivity》 in relation to this compound, is published in Journal of Medicinal Chemistry. Let’s take a look at the latest research on this compound (cas:67914-60-7).

Myeloid cell leukemia 1 (MCL-1) is a BCL-2 family protein that has been implicated in the progression and survival of multiple tumor types. Herein the authors report a series of MCL-1 inhibitors that emanated from a high throughput screening (HTS) hit and progressed via iterative cycles of structure-guided design. Advanced compounds from this series exhibited subnanomolar affinity for MCL-1 and excellent selectivity over other BCL-2 family proteins as well as multiple kinases and GPCRs. In a MCL-1 dependent human tumor cell line, administration of compound I rapidly induced caspase activation with associated loss in cell viability. The small mols. described herein thus comprise effective tools for studying MCL-1 biol.

This compound(1-(4-(4-Hydroxyphenyl)piperazin-1-yl)ethanone)Application In Synthesis of 1-(4-(4-Hydroxyphenyl)piperazin-1-yl)ethanone was discussed at the molecular level, the effects of temperature and reaction time on the properties of the compound were discussed, and the optimum reaction conditions were selected.

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 Gas-Phase Formation and Isomerization Reactions of Cyanoacetaldehyde, a Prebiotic Molecule of Astrochemical Interest, published in 2021-05-20, which mentions a compound: 288-42-6, mainly applied to gas phase formation isomerization reaction prebiotic mol cyanoacetaldehyde, Quality Control of Oxazole.

Cyanoacetaldehyde (NC-CH2CH=O) is considered, together with guanidine and urea, as a precursor of the pyrimidine bases cytosine and uracil. Although it has not yet been detected in the interstellar medium (ISM), several hypotheses have been put forward about its synthesis in solution and in the gas phase. In this paper, we present a gas-phase model of the barrierless reaction between formyl (HCO) and cyanomethyl (CH2CN) radicals leading to cyanoacetaldehyde and focus on its evolution through isomerization and dissociation pathways. The potential-energy surface for all reactions has been explored by DFT calculations employing double-hybrid functionals and further refined through the “”Cheap”” composite scheme. Our results indicate that the direct association of the two reacting radicals (HCO and CH2CN) is strongly exothermic and thus thermodynamically favored under the harsh conditions of the ISM. Microcanonical rate constants computed with the help of the StarRate program for energies up to 6 kJ mol-1 above the dissociation limit show that the most abundant products are the two conformers of cyanoacetaldehyde (nitrile and carbonyl groups in a cis or trans configuration) which, despite having comparable stability, are obtained with a cis/trans ratio of 0.35:0.65. The formation of other products with relative abundances not exceeding 10% is also discussed.

This compound(Oxazole)Quality Control of Oxazole was discussed at the molecular level, the effects of temperature and reaction time on the properties of the compound were discussed, and the optimum reaction conditions were selected.

Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

Beyer, Valentin Peter; Cattoz, Beatrice; Becer, Caglar Remzi published the article 《Thiol-Bromo Click Reaction for One-Pot Synthesis of Star-Shaped Polymers》. Keywords: thiol bromo click star shaped polymer; Cu-mediated RDRP; Star polymers; click reactions; one pot reactions; thiol-bromo.They researched the compound: Cupric bromide( cas:7789-45-9 ).Recommanded Product: Cupric bromide. 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:7789-45-9) here.

Star-shaped polymers have unique phys. properties and they are sought after materials in industry. However, the ease of synthesis is essential for translation of these materials into large-scale applications. Herein, a highly efficient synthetic method to prepare star-shaped polymers by combination of Cu-mediated reversible deactivation radical polymerization (Cu-RDRP) and thiol-bromo click reaction is described. Well-defined linear and block polymers with a very high bromine chain end fidelity are obtained via Cu-RDRP and subsequently react with multi-functional thiol compounds High coupling efficiencies of larger than 90% are obtained owing to the quick and efficient reaction between thiols and alkyl bromides. Moreover, the arms of the obtained star-shaped polymers are linked via thioether bonds to the core, making them susceptible for oxidative degradation

This compound(Cupric bromide)Recommanded Product: Cupric bromide was discussed at the molecular level, the effects of temperature and reaction time on the properties of the compound were discussed, and the optimum reaction conditions were selected.

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 of axially disubstituted silicon(IV) phthalocyanines and investigation of their photophysical and photochemical properties, published in 2022-02-05, which mentions a compound: 67914-60-7, Name is 1-(4-(4-Hydroxyphenyl)piperazin-1-yl)ethanone, Molecular C12H16N2O2, Computed Properties of C12H16N2O2.

In this study, the axially 1-(4-(3-(6-hydroxyhexyl)-3,4-dihydro-2H-benzo[e][1,3]oxazin-6-yl)piperazin-1-yl)ethanone and 1-(4-(3-(2-(2-hydroxyethoxy)ethyl)-3,4-dihydro-2H-benzo[e][1,3]oxazin-6-yl)piperazin-1-yl)ethanone disubstituted silicon(IV) phthalocyanines and their corresponding quaternized derivatives were synthesized for the first time as candidate photosensitizers for photodynamic therapy (PDT) in cancer treatment. The structures of these novel compounds were confirmed by some spectroscopic techniques such as FT-IR, 1H NMR, 13C NMR, UV-Vis, and mass. The axially substitution increased the solubility of the silicon(IV) phthalocyanines. The prepared silicon(IV) phthalocyanines showed great results achieved from photochem. and photophys. investigations in DMSO solution Especially, high singlet oxygen and the fluorescence quantum yield values of the quaternized silicon (IV) phthalocyanines indicates that these compounds have major potential as photosensitizers in PDT. Furthermore, studied silicon(IV) phthalocyanine complexes could be classified as the stable photosensitizer in accordance with photodegradation study results. The fluorescence quenching behavior of these phthalocyanine complexes was also examined using fluorescence quenching method by 1,4-benzoquinone (BQ).

This compound(1-(4-(4-Hydroxyphenyl)piperazin-1-yl)ethanone)Computed Properties of C12H16N2O2 was discussed at the molecular level, the effects of temperature and reaction time on the properties of the compound were discussed, and the optimum reaction conditions were selected.

Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

Jiang, Jie; Seel, Catharina Julia; Temirak, Ahmed; Namasivayam, Vigneshwaran; Arridu, Antonella; Schabikowski, Jakub; Baqi, Younis; Hinz, Sonja; Hockemeyer, Joerg; Mueller, Christa E. published the article 《A2B Adenosine Receptor Antagonists with Picomolar Potency》. Keywords: A2B adenosine receptor antagonist benzenesulfonamide.They researched the compound: 1-(4-(4-Hydroxyphenyl)piperazin-1-yl)ethanone( cas:67914-60-7 ).Computed Properties of C12H16N2O2. 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:67914-60-7) here.

The A2B adenosine receptor (A2BAR) was proposed as a novel target for the (immuno)therapy of cancer since A2BAR blockade results in antiproliferative, anti-angiogenic, anti-metastatic, and immuno-stimulatory effects. In this study, we explored the structure-activity relationships of xanthin-8-yl-benzenesulfonamides mainly by introducing a variety of linkers and substituents attached to the sulfonamide residue. A new, convergent strategy was established which facilitated the synthesis of the target compounds Many of the new compounds exhibited subnanomolar affinity for the A2BAR combined with high selectivity. Functional groups were introduced which will allow the attachment of dyes and other reporter groups. 8-(4-((4-(4-Bromophenyl)piperazin-1-yl)sulfonyl)phenyl)-1-propylxanthine (34, PSB-1901) was the most potent A2B-antagonist (Ki 0.0835 nM, KB 0.0598 nM, human A2BAR) with >10,000-fold selectivity vs. all other AR subtypes. It was similarly potent and selective at the mouse A2BAR, making it a promising tool for preclin. studies. Computational studies predicted halogen bonding to contribute to the outstanding potency of 34.

This compound(1-(4-(4-Hydroxyphenyl)piperazin-1-yl)ethanone)Computed Properties of C12H16N2O2 was discussed at the molecular level, the effects of temperature and reaction time on the properties of the compound were discussed, and the optimum reaction conditions were selected.

Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

Synthetic Route of C5H7BrO3. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: Ethyl 3-bromo-2-oxopropanoate, is researched, Molecular C5H7BrO3, CAS is 70-23-5, about A Highly Selective “”Turn-On”” Fluorescent Sensor for Aluminum Ion Detection in Aqueous Solution Based on Imidazo[2,1-b]thiazole Schiff Base. Author is Wang, Haibin; Xu, Xin; Yin, Jichen; Zhang, Zhifeng; Xue, Lei.

Low sensitivity of fluorescent sensors with “”turn-off”” response for identifying Al3+ has limited their wide application in the field of ion sensing. Herein, this paper reports a novel fluorescence sensor (L) endowing with “”turn-on”” fluorescence response based on imidazo[2,1-b]thiazole for recognizing Al3+ in aqueous solutions Results show that the L exhibits high selectivity and sensitivity with “”turn-on”” fluorescence response towards Al3+, but also has strong anti-interference to other common ions. In addition, the excellent color change can be distinguished by naked eyes under UV light and the test papers show great potential for detecting Al3+ in tap water. The supposed sensing mechanism of L to Al3+ could be attributed to the inhibition of photo-induced electron transfer (PET) and chelation-enhanced fluorescence (CHEF). Such a novel design pathway is expected to offer helpful guidance for fabricating various sensors with “”turn-on””; fluorescence response.

This compound(Ethyl 3-bromo-2-oxopropanoate)Synthetic Route of C5H7BrO3 was discussed at the molecular level, the effects of temperature and reaction time on the properties of the compound were discussed, and the optimum reaction conditions were selected.

Reference:
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, Article, Inorganic Chemistry called High-temperature phase transition containing switchable dielectric behavior, long fluorescence lifetime, and distinct photoluminescence changes in 2D hybrid CuBr4 perovskite, Author is Han, Ding-Chong; Tan, Yu-Hui; Wu, Wei-Chao; Li, Yu-Kong; Tang, Yun-Zhi; Zhuang, Jia-Chang; Ying, Ting-Ting; Zhang, Hao, the main research direction is phase transition switchable dielec behavior fluorescence hybrid perovskite.SDS of cas: 7789-45-9.

A novel organic-inorganic hybrid perovskite crystal, [ClC6H4(CH2)2NH3]2CuBr4 (1), having experienced an invertible high-temperature phase transition near Tc (Curie temperature Tc = 355 K), has been successfully synthesized. The phase-transition characteristics for compound 1 are thoroughly revealed by sp. heat capacity (Cp), DTA, and differential scanning calorimetry tests, possessing 16 K broad thermal hysteresis. Multiple-temperature powder X-ray diffraction anal. further proves the phase-transition behavior of compound 1. Moreover, compound 1 exhibits a significant steplike dielec. response near Tc, revealing that it can be deemed to be a promising dielec. switching material. The variable-temperature fluorescence experiments show distinct photoluminescence (PL) changes of compound 1. Further investigation and calculation disclose that the fluorescence lifetime of compound 1 can reach as long as 55.46 μs, indicating that it can be a potential PL material. All of these researches contribute a substitutable avenue in the design and construction of neoteric phase-transition compounds combining high Curie temperature and PL properties.

《High-temperature phase transition containing switchable dielectric behavior, long fluorescence lifetime, and distinct photoluminescence changes in 2D hybrid CuBr4 perovskite》 provides a strategy for the preparation of materials with excellent comprehensive properties, which is conducive to broaden the application field of this compound(Cupric bromide)SDS of cas: 7789-45-9.

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 Substituted phthalocyanines and their electropolymerization properties, published in 2016-10-31, which mentions a compound: 67914-60-7, Name is 1-(4-(4-Hydroxyphenyl)piperazin-1-yl)ethanone, Molecular C12H16N2O2, Formula: C12H16N2O2.

New metal-free and metallo-phthalocyanine complexes (Co, TiO) were synthesized using a piperazine-substituted phthalonitrile derivative All proposed structures were supported by instrumental methods. Electrochem. studies of H2-Pc, TiIVOPc, and CoIIPc were examined using cyclic voltammetry (CV) and square-wave voltammetry (SWV) techniques. Voltammetric analyses of phthalocyanines supported the proposed structure of the synthesized complexes. All studied phthalocyanines were oxidatively electropolymerized on the working electrode during the repetitive anodic potential scans.

《Substituted phthalocyanines and their electropolymerization properties》 provides a strategy for the preparation of materials with excellent comprehensive properties, which is conducive to broaden the application field of this compound(1-(4-(4-Hydroxyphenyl)piperazin-1-yl)ethanone)Formula: C12H16N2O2.

Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

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 Design, synthesis, HER2 inhibition and anticancer evaluation of new substituted 1,5-dihydro-4,1-benzoxazepines, the main research direction is benzenesulfonyl fused azolylbenzoxazepine preparation; HER2 inhibition antitumor SAR pyroptosis induction docking; Antitumour; HER2 receptor; benzoxazepines; molecular modelling; pyroptosis.Safety of 2,6-Dichloropurine.

A series of 11 new substituted 1,5-dihydro-4,1-benzoxazepine derivatives I [X = Y = Z = CH, N; R = H, Cl, Me2N, etc.; R1 = H, Cl; R2 = 4-Me, 4-O2N, 4-O2N] were synthesized to study the influence of the Me group in the 1-(benzenesulfonyl) moiety, the replacement of the purine by the benzotriazole bioisosteric analog, and the introduction of a bulky substituent at position 6 of the purine, on the biol. effects. Their inhibition against isolated HER2 was studied and the structure-activity relationships were confirmed by mol. modeling studies. The most potent compound against isolated HER2 was I [X = Y = N, Z = CH, R = C6H5S, R1 = Cl, R2 = 4-O2N] with an IC50 of 7.31μM. The effects of the target compounds on cell proliferation was investigated. The most active compound was I [X = Y = N, Z = CH, R = R1 = Cl, R2 = 4-Me] against all the tumor cell lines studied (IC50 0.42-0.86μM) does not produce any modification in the expression of pro-caspase 3, but increased the caspase 1 expression and promoted pyroptosis.

《Design, synthesis, HER2 inhibition and anticancer evaluation of new substituted 1,5-dihydro-4,1-benzoxazepines》 provides a strategy for the preparation of materials with excellent comprehensive properties, which is conducive to broaden the application field of this compound(2,6-Dichloropurine)Safety of 2,6-Dichloropurine.

Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

Electric Literature of C5H6N2O2. 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: 6-Hydroxy-2-methylpyrimidin-4(3H)-one, is researched, Molecular C5H6N2O2, CAS is 1194-22-5, about Effect of pyrimidine derivatives on the incorporation of labeled amino acids into liver proteins. Author is Lifshits, R. I.; Kamilov, F. Kh..

Uracil [66-22-8], cytosine [71-30-7], 6-hydroxy-2,4-dimethylpyrimidine [6622-92-0], 4,6-dihydroxy-2-methylpyrimidine [1194-22-5], 2-amino-6-hydroxy-4-methylpyrimidine [3977-29-5], or 2,5-diamino-6-hydroxy-4-methylpyrimidine [4214-86-2] increased 14C-labeled alanine [56-41-7] incorporation into proteins of the mitochondria-free liver cell fraction when injected i.p. at 100 mg/kg into rats, added at 0.6 mM to the perfusion liquid of the isolated rat liver, or incubated at 0.6 mM with the liver tissue. Orotic acid [65-86-1] had no effect on the liver protein synthesis. The pyrimidine derivatives might affect enzyme synthesis by stimulating DNA-dependent RNA synthesis.

《Effect of pyrimidine derivatives on the incorporation of labeled amino acids into liver proteins》 provides a strategy for the preparation of materials with excellent comprehensive properties, which is conducive to broaden the application field of this compound(6-Hydroxy-2-methylpyrimidin-4(3H)-one)Electric Literature of C5H6N2O2.

Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem