Day: April 7, 2022

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 Development of Candidates for Positron Emission Tomography (PET) Imaging of Ghrelin Receptor in Disease: Design, Synthesis, and Evaluation of Fluorine-Bearing Quinazolinone Derivatives, published in 2018-02-08, which mentions a compound: 67914-60-7, Name is 1-(4-(4-Hydroxyphenyl)piperazin-1-yl)ethanone, Molecular C12H16N2O2, Category: oxazolidine.

Mol. imaging with positron emission tomog. (PET) is an attractive platform for noninvasive detection and assessment of disease. The development of a PET imaging agent targeting the ghrelin receptor (growth hormone secretagogue receptor type 1a or GHS-R1a) has the potential to lead to the detection and assessment of the higher than normal expression of GHS-R1a in diseases such as prostate, breast, and ovarian cancer. To enable the development of 18F radiopharmaceuticals, we have designed and synthesized three series of quinazolinone derivatives, resulting in the identification of two compound with subnanomolar binding affinity and one fluorine-bearing compound I with picomolar binding affinity (20 pM), representing the highest binding affinity for GHS-R1a reported to date. Two lead compounds (II, IC50 = 20.6 nM; III, IC50 = 9.3 nM) were successfully 18F-radiolabeled with radiochem. purity of greater than 99%. Mol. modeling studies were performed to shed light on ligand-receptor interactions.

Here is just a brief introduction to this compound(67914-60-7)Category: oxazolidine, more information about the compound(1-(4-(4-Hydroxyphenyl)piperazin-1-yl)ethanone) is in the article, you can click the link below.

Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

Electric Literature of C3H3NO. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: Oxazole, is researched, Molecular C3H3NO, CAS is 288-42-6, about Benchmarking doubles-corrected random-phase approximation methods for frequency dependent polarizabilities: Aromatic molecules calculated at the RPA, HRPA, RPA(D), HRPA(D), and SOPPA levels. Author is Joergensen, Maria W.; Sauer, Stephan P. A..

The performance of different polarization propagator methods, such as RPA, RPA(D), HRPA, HRPA(D), and SOPPA, have been tested against CC3 values for both static and dynamic polarizabilities. The test set consists of 14 (hetero-)aromatic medium-sized organic mols., mostly with a high degree of symmetry. The benchmark of the methods remarkably reveals that RPA and HRPA(D) yield results comparable with the CC3 values and that they outperform SOPPA for these mols. For a subset of the mols., a comparison could be made to exptl. values. The comparison for static polarizabilities proves that RPA and HRPA(D) as well as RPA(D) reproduce exptl. values to a satisfying precision, whereas the SOPPA method compared to these three methods appears to perform only adequately. An investigation of the performance of Sadlej’s polarized triple zeta basis set against Dunning’s aug-cc-pVTZ basis set was also carried out. It is found that in contrast to other methods, Sadlej’s basis set did not perform sufficiently compared to the larger aug-cc-pVTZ basis set for the RPA based methods. (c) 2020 American Institute of Physics.

Here is just a brief introduction to this compound(288-42-6)Electric Literature of C3H3NO, more information about the compound(Oxazole) is in the article, you can click the link below.

Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

Synthetic Route of C12H16N2O2. 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: 1-(4-(4-Hydroxyphenyl)piperazin-1-yl)ethanone, is researched, Molecular C12H16N2O2, CAS is 67914-60-7, about Synthesis of novel N-9 substituted 6-(4-(4-propoxyphenyl)piperazin-1-yl)-9H-purine derivatives as inducers of apoptosis in MCF-7 breast cancer cells. Author is Sunagar, Manjunath G.; Gaonkar, Supreet; Sunagar, Santosh G.; Deshapande, Narahari; Belavagi, Ningaraddi S.; Khazi, Imtiyaz Ahmed M..

A series of N-9 substituted 6-(4-(4-propoxyphenyl)piperazin-1-yl)-9H-purine derivatives (PP05-PP21) were prepared and evaluated for their anticancer activity against a panel of human cancer cell lines. Evaluation of results revealed that some of the synthesized compounds exhibited promising anticancer activity against the examined cancer cell lines. The structure-activity relationship (SAR) studies in the present work revealed that simple N-9 alkyl substituted 6-(4-(4-propoxyphenyl)piperazin-1-yl)-9H-purines are potent anticancer agents. Among all the compounds, PP17 (9-sec-butyl-6-(4-(4-propoxyphenyl)piperazin-1-yl)-9H-purine) showed good inhibitory activity against MCF-7 cells. Cell cycle anal. of the compound suggested that induces G2/M phase arrest. Biochem. experiments showed that PP17 significantly induced MCF-7 cell apoptosis. Therefore, compound PP17 with a potent in vitro anticancer activity can serve as a promising lead compound for further study.

Here is just a brief introduction to this compound(67914-60-7)Synthetic Route of C12H16N2O2, more information about the compound(1-(4-(4-Hydroxyphenyl)piperazin-1-yl)ethanone) is in the article, you can click the link below.

Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

Recommanded Product: 70-23-5. 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. Compound: Ethyl 3-bromo-2-oxopropanoate, is researched, Molecular C5H7BrO3, CAS is 70-23-5, about A new “”off-on-off”” sensor for sequential detection of Al3+ and Cu2+ with excellent sensitivity and selectivity based on different sensing mechanisms.

A new simple Schiff base, (E)-N-(2-hydroxybenzylidene)imidazo[2,1-b]thiazole-6-carbohydrazide (X), was designed and synthesized based on salicylaldehyde and imidazo[2, 1-b]thiazole. X could be used as a sensor to identify Al3+ through a significant fluorescence enhancement because of CHEF and inhibition of PET process and then to detect Cu2+ through a highly efficient quenching behavior due to the paramagnetic quenching. The sensor showed a high selectivity for Al3+ and Cu2+ in methanol solution at pH = 5 and was not disturbed by other competing metal ions. Furthermore, based on the equation 3σ/slope, the detection limits of sensor for Al3+ and Cu2+ were calculated to be 3.1 x 10-10 M and 9.8 x 10-11 M, resp. Addnl., the association constants of X[Al3+] and X[Cu2+] were also determined to be 2.3 x 104 M-1 and 6.1 x 104 M-1 on basis of Benesi-Hildebrand equation. In addition, the titration experiment of fluorescence and mass spectrometry showed that sensor was combined with Al3+ or Cu2+ both in 1:1 ratio. Moreover, the optimized structure and energy calculations of X, X[Al3+] and X[Cu2+] were obtained by Gaussian software based on the basis set of B3LYP/6-31 G(d) and B3LYP/LANL2DZ. And, the sensor successfully detected Al3+ and Cu2+ in the real water sample with a satisfactory recovery (91.4 % – 107.1 %) and RSD values (0.66 % – 1.91 %).

Here is just a brief introduction to this compound(70-23-5)Recommanded Product: 70-23-5, more information about the compound(Ethyl 3-bromo-2-oxopropanoate) is in the article, you can click the link below.

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: 2,6-Dichloropurine, is researched, Molecular C5H2Cl2N4, CAS is 5451-40-1, about Green Regioselective Synthesis of (Purin-6-yl)hydrazones.COA of Formula: C5H2Cl2N4.

Some unique purine hydrazinylidene derivatives I (R1 = Me, CN, CF3; R2 = H, Me, F; R3 = OMe, OEt, pyrazin-2-yl) were synthesized by the regioselective reaction of 2,6-dichloropurine with hydrazine hydrate, followed by condensation with com. available 1,3-dicarbonyl compounds according to a green chem. approach. The regioselectivity of chlorine substitution in 2,6-dichloropurine was established by HMBC (Heteronuclear Multiple Bond Correlation) NMR technique.

Here is just a brief introduction to this compound(5451-40-1)COA of Formula: C5H2Cl2N4, more information about the compound(2,6-Dichloropurine) is in the article, you can click the link below.

Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

Category: oxazolidine. 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. Compound: Cupric bromide, is researched, Molecular Br2Cu, CAS is 7789-45-9, about Tris(3-fluorophenyl)antimony Dihalides: Synthesis and Structure.

Tris(3-fluorophenyl)antimony dichloride, dibromide, and diiodide were obtained by the reaction of tris(3-fluorophenyl)antimony with Cl, Br, and I in benzene. Dichloride and dibromide were also obtained in the reaction of tris(3-fluorophenyl)antimony with Cu dihalides in acetone. Tris(3-fluorophenyl)antimony difluoride was obtained in the exchange reaction between tris(3-fluorophenyl)antimony dichloride and NaF. According to single crystal x-ray diffraction data, centrosym. dichloride and dibromide mols. and four types of crystallog. independent diiodide mols. have a trigonal-bipyramidal configuration with electroneg. ligands in axial positions.

Here is just a brief introduction to this compound(7789-45-9)Category: oxazolidine, more information about the compound(Cupric bromide) is in the article, you can click the link below.

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: Oxazole, is researched, Molecular C3H3NO, CAS is 288-42-6, about Discovery of Ethyl Ketone-Based Highly Selective HDACs 1, 2, 3 Inhibitors for HIV Latency Reactivation with Minimum Cellular Potency Serum Shift and Reduced hERG Activity.Formula: C3H3NO.

We describe the discovery of histone deacetylase (HDACs) 1, 2, and 3 inhibitors with Et ketone as the zinc-binding group. These HDACs 1, 2, and 3 inhibitors have good enzymic and cellular activity. Their serum shift in cellular potency has been minimized, and selectivity against hERG has been improved. They are also highly selective over HDACs 6 and 8. These inhibitors contain a variety of substituted heterocycles on the imidazole or oxazole scaffold. Compounds 31 and 48 stand out due to their good potency, high selectivity over HDACs 6 and 8, reduced hERG activity, optimized serum shift in cellular potency, and good rat and dog PK profiles.

Compound(288-42-6)Formula: C3H3NO received a lot of attention, and I have introduced some compounds in other articles, similar to this compound(Oxazole), if you are interested, you can check out my other related articles.

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, International Annual Conference of ICT called Calorimetric and theoretical investigation of heat effects and reaction kinetics for nitration of 2-methyl-4,6-dihydroxy-pyrimidine, Author is Chylek, Zbigniew; Trzcinski, Waldemar A., which mentions a compound: 1194-22-5, SMILESS is CC1=NC(=CC(N1)=O)O, Molecular C5H6N2O2, HPLC of Formula: 1194-22-5.

The thermal effects accompanying the process of nitration of 2-methyl-4,6-dihydroxy-pyrimidine (other names in use: 2-methylpyrimidine-4,6-dione, MPD) were investigated. Measurements were performed using a differential reaction calorimeter (DRC). The heat of solution of MPD in concentrated sulfuric acid (95%), the heat of mixing of nitric acid (100%) with sulfuric acid (95%) and the heat effect of nitration of MDP in a mixture of nitric and sulfuric acids were measured. Anal. of literature data and the research results allowed to propose the model and math. formulation of the problem of the nitration of MPD. The model was used to simulate phenomena and reactions running in DRC. The exptl. data were compared with modeling results. The parameters of the rate constants of reactions running in DRC were determined

Compound(1194-22-5)HPLC of Formula: 1194-22-5 received a lot of attention, and I have introduced some compounds in other articles, similar to this compound(6-Hydroxy-2-methylpyrimidin-4(3H)-one), if you are interested, you can check out my other related articles.

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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, Bioorganic Chemistry called Synthesis and biological evaluation of 6-phenylpurine linked hydroxamates as novel histone deacetylase inhibitors, Author is Chen, Dizhong; Soh, Chang Kai; Goh, Wei Huang; Wang, Zilong; Wang, Haishan, which mentions a compound: 5451-40-1, SMILESS is C2=NC1=C(C(=NC(=N1)Cl)Cl)[NH]2, Molecular C5H2Cl2N4, Formula: C5H2Cl2N4.

A series of 6-phenylpurine based hydroxamates I (R = morpholin-4-yl, diethylaminyl, dimethylaminyl, pyrrolidin-1-yl; R1 = Et, iso-Pr, Pr, cyclopentyl, pentan-3-yl; R2 = 3-[(hydroxycarbamoyl)methyl]oxidanyl, 4-[4-(hydroxycarbamoyl)butoxy]methyl, 3-[4-(hydroxycarbamoyl)piperidin-1-yl]methyl, etc.) have been designed, synthesized and evaluated. Compound I (R = morpholin-4-yl; R1 = isopropyl; R2 = 3-[3-(hydroxycarbamoyl)propyl]oxidanyl (A)) and its analogs are potent histone deacetylase (HDAC) but weak PI3K/mTOR inhibitors. These compounds demonstrated broad anti-cancer activities against 38 cancer cell lines with leukemia, lymphoma, and the majority of liver cancer cell lines exhibiting the most sensitivity towards these compounds Compound (A) demonstrated modulation of HDAC targets in vitro in a dose-dependent manner. It has good in vitro ADME profile that translated into a greatly improved pharmacokinetic profile., the compound (A) also demonstrated modulation of HDACs in tumors in a PC-3 xenograft model. It was further evaluated in combination therapies in vitro. It exhibited additive or synergistic growth inhibition effect in HepG2 cells when combined with a number of approved drugs such as sorafenib, sunitinib, and erlotinib. Hence, compound (A) has the potential to be combined with the above to treat advanced liver cancer. As such, current data warrant further evaluation, optimization, and subsequent in vivo validation of the potential combination therapies.

Compound(5451-40-1)Formula: C5H2Cl2N4 received a lot of attention, and I have introduced some compounds in other articles, similar to this compound(2,6-Dichloropurine), if you are interested, you can check out my other related articles.

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, Journal of Membrane Science called Thin-film composite membranes based on hyperbranched poly(ethylene oxide) for CO2/N2 separation, Author is Zhang, Gengyi; Tran, Thien N.; Huang, Liang; Deng, Erda; Blevins, Adrienne; Guo, Wenji; Ding, Yifu; Lin, Haiqing, which mentions a compound: 7789-45-9, SMILESS is [Cu+2].[Br-].[Br-], Molecular Br2Cu, Application In Synthesis of Cupric bromide.

Crosslinked amorphous poly(ethylene oxide) (XLPEO) is one of the leading membrane materials for post-combustion CO2 capture. For example, XLPEO prepared from poly(ethylene glycol) Me ether acrylate (PEGMEA) exhibited CO2 permeability of 570 Barrer and CO2/N2 selectivity of 41 at 35°C. However, these XLPEOs cannot be dissolved in coating solutions, making it impossible to be fabricated into thin-film composite (TFC) membranes using state-of-the-art manufacturing processes. In this study, we synthesized high mol. weight yet soluble HPEO via atom transfer radical polymerization (ATRP). These polymers were thoroughly characterized and compared with XLPEO, including thermal transitions, free volumes, and pure-gas sorption and permeation properties. A polymer with the best combination of CO2 permeability (540 Barrer) and CO2/N2 selectivity (43) was fabricated into defect-free TFC membranes with a thickness as thin as 506 ± 44 nm. When challenged with simulated flue gas containing water vapor at 35°C for over 100 h, the membrane shows stable CO2 permeance of 850 GPU and CO2/N2 selectivity of 37, comparable to the leading com. membranes for carbon capture.

Compound(7789-45-9)Application In Synthesis of Cupric bromide received a lot of attention, and I have introduced some compounds in other articles, similar to this compound(Cupric bromide), if you are interested, you can check out my other related articles.

Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem