Month: November 2022

Sancho, Raquel published the artcileMonolithic silica columns functionalized with substituted polyproline-derived chiral selectors as chiral stationary phases for high-performance liquid chromatography, Quality Control of 2960-93-2, the publication is Journal of Separation Science (2014), 37(20), 2805-2813, database is CAplus and MEDLINE.

In this study, two polyproline-derived chiral selectors are bonded to monolithic silica gel columns. In spite of high chiral selector coverage, the derivatization was found to have only a slight effect on the hydrodynamics of the mobile phase through the column. The enantioseparation ability of the resulting chiral monolithic columns was evaluated with a series of structurally diverse racemic test compounds When compared to analogous bead-based chiral stationary phases, higher enantioseparation and broader application domain were observed for monolithic columns. Moreover, the increase in flow rate produces a minor reduction of resolution, which permits to shorten anal. time. Addnl., increased loadability defines chiral polyproline derived monoliths as adequate for preparative chromatog.

Journal of Separation Science published new progress about 2960-93-2. 2960-93-2 belongs to naphthyridine, auxiliary class Naphthalene,Ether,Other MOF ligands,Organic ligands for MOF materials, name is 2,2′-Dimethoxy-1,1′-binaphthalene, and the molecular formula is C22H18O2, Quality Control of 2960-93-2.

Referemce:
https://en.wikipedia.org/wiki/1,8-Naphthyridine,
1,8-Naphthyridine | C8H6N2 – PubChem

El-Sayed, Amira A. published the artcileDesign, synthesis, anticancer evaluation and molecular docking study of novel 2,4-dichlorophenoxymethyl-based derivatives linked to nitrogenous heterocyclic ring systems as potential CDK-2 inhibitors, COA of Formula: C10H9NO4S, the publication is Journal of Molecular Structure (2022), 131285, database is CAplus.

A novel series of 2,4-dichlorophenoxymethyl-based derivatives 4-18 bearing various nitrogenous heterocyclic systems have been designed and synthesized through mol. hybridization approach. The anti-proliferative activity of all newly synthesized derivatives was established against human HCT-116 and MCF-7 cancer cell lines. The structure-activity relationship (SAR) studies exhibited that the derivatives incorporated with pyrido[3,2-d]pyrimidine, naphtho[2,3-e][1,3]oxazine-5-sulfonic acid, benzo[d]thiazole and benzo[d]oxazole scaffolds revealed the highest cytotoxic activities comparing with doxorubicin as a reference drug. The promising derivatives 5, 9, 13 and 15 were subjected to enzymic inhibitory assessment against CDK-2/cyclin A2 using roscovitine as a standard Concerning their effects upon the apoptotic process, they upregulated Bax, p-53 and caspase-3 levels and downregulated Bcl-2, causing induction of apoptosis. Moreover, the in silico mol. docking was applied to investigate the possible binding modes and orientations within the active site of CDK-2.

Journal of Molecular Structure published new progress about 116-63-2. 116-63-2 belongs to naphthyridine, auxiliary class Sulfonic acid,Amine,Naphthalene,Alcohol,Organic Pigment, name is 4-Amino-3-hydroxynaphthalene-1-sulfonic acid, and the molecular formula is C10H9NO4S, COA of Formula: C10H9NO4S.

Referemce:
https://en.wikipedia.org/wiki/1,8-Naphthyridine,
1,8-Naphthyridine | C8H6N2 – PubChem

Zhong, Min published the artcileCarcinogenicity Prediction of Noncongeneric Chemicals by a Support Vector Machine, Application In Synthesis of 59973-80-7, the publication is Chemical Research in Toxicology (2013), 26(5), 741-749, database is CAplus and MEDLINE.

The ability to identify carcinogenic compounds is of fundamental importance to the safe application of chems. In this study, the authors generated an array of in silico models allowing the classification of compounds into carcinogenic and noncarcinogenic agents based on a data set of 852 noncongeneric chems. collected from the Carcinogenic Potency Database (CPDBAS). Twenty-four mol. descriptors were selected by Pearson correlation, F-score, and stepwise regression anal. These descriptors cover a range of physicochem. properties, including electrophilicity, geometry, mol. weight, size, and solubility The descriptor mutagenic showed the highest correlation coefficient with carcinogenicity. On the basis of these descriptors, a support vector machine-based (SVM) classification model was developed and fine-tuned by a 10-fold cross-validation approach. Both the SVM model (Model A1) and the best model from the 10-fold cross-validation (Model B3) runs gave good results on the test set with prediction accuracy over 80%, sensitivity over 76%, and specificity over 82%. In addition, extended connectivity fingerprints (ECFPs) and the Toxtree software were used to analyze the functional groups and substructures linked to carcinogenicity. It was found that the results of both methods are in good agreement.

Chemical Research in Toxicology published new progress about 59973-80-7. 59973-80-7 belongs to naphthyridine, auxiliary class Immunology/Inflammation,COX, name is Sulindac sulfone, and the molecular formula is C10H16Br3N, Application In Synthesis of 59973-80-7.

Referemce:
https://en.wikipedia.org/wiki/1,8-Naphthyridine,
1,8-Naphthyridine | C8H6N2 – PubChem

Qian, Yan published the artcileSpiro[fluorene-9,9�xanthene]-based universal hosts for understanding structure-property relationships in RGB and white PhOLEDs, SDS of cas: 159-62-6, the publication is RSC Advances, database is CAplus.

Ingenious construction of state-of-the-art models of electrophosphorescent hosts for uncovering the deep role of different mol. modifications in PhOLEDs performances is crucial for rational cumulative improvements of device efficiency and for accelerating their commercialization. A series of conjugation-interrupted spiro[fluorene-9,9â€?xanthene](SFX)/9-arylfluorenes (AFs) hybrid host materials have been designed and synthesized by concise two-step reactions, and have been demonstrated to serve as universal hosts for low voltage blue, green, red and single-emitting layer white PhOLEDs. By varying the electronegativity and position of the bulky AF substitutes, two independent, selective methods for fine tuning frontier MO energy levels without affecting the high triplet energy level (T₁) have been realized. This offers either facilitated hole- or electron-injection/blocking without influencing the optical properties, which can explain the performance of the corresponding RGB PhOLEDs. This investigation provides good guidance for the future rational design of high-performance PhOLED hosts by accumulative structural modifications.

RSC Advances published new progress about 159-62-6. 159-62-6 belongs to naphthyridine, auxiliary class Other Aromatic Heterocyclic,Spiro, name is Spiro[fluorene-9,9′-xanthene], and the molecular formula is C25H16O, SDS of cas: 159-62-6.

Referemce:
https://en.wikipedia.org/wiki/1,8-Naphthyridine,
1,8-Naphthyridine | C8H6N2 – PubChem

Beitollahi, Hadi published the artcileApplication of a modified CuO nanoparticles carbon paste electrode for simultaneous determination of isoperenaline, acetaminophen and N-acetyl-L-cysteine, Computed Properties of 116-63-2, the publication is Electroanalysis (2016), 28(3), 645-653, database is CAplus.

A 1-[2-hydroxynaphthylazo]-6-nitro-2-naphthol-4-sulfonate/ CuO nanoparticles modified carbon paste electrode (HNNSCCPE) was constructed and the electro-oxidation of isoprenaline at the surface of the modified electrode was studied using cyclic voltammetry (CV), chronoamperometry (CHA), and square wave voltammetry (SWV). Under the optimized conditions, the square wave voltammetric peak current of isoprenaline increased linearly with isoprenaline concentrations in the range of 1.0×10^-7 to 7.0×10^-4 M and detection limit of 5.0×10^-8 M was obtained for isoprenaline. The prepared modified electrode exhibits a very good resolution between the voltammetric peaks of isoprenaline, acetaminophen and N-acetyl-L-cysteine which makes it suitable for the detection of isoprenaline in the presence of acetaminophen and N-acetyl-L-cysteine in real samples.

Electroanalysis published new progress about 116-63-2. 116-63-2 belongs to naphthyridine, auxiliary class Sulfonic acid,Amine,Naphthalene,Alcohol,Organic Pigment, name is 4-Amino-3-hydroxynaphthalene-1-sulfonic acid, and the molecular formula is C10H9NO4S, Computed Properties of 116-63-2.

Referemce:
https://en.wikipedia.org/wiki/1,8-Naphthyridine,
1,8-Naphthyridine | C8H6N2 – PubChem

Shweta published the artcileDesign-specific mechanistic regulation of the sensing phenomena of two Schiff bases towards Al³⁺, HPLC of Formula: 116-63-2, the publication is RSC Advances (2016), 6(60), 55430-55437, database is CAplus.

We report herein two optical probes (R1 and R2) for the fluorogenic detection of Al³⁺ at the level of 10^-8 M. R1 and R2 were synthesized by simple Schiff base condensation of 4-amino-3-hydroxy-1-naphthalene sulfonic acid with 5-bromosalicaldehyde and 2-hydroxy-1-naphthaldehyde, resp. The same were characterized by various spectroscopic techniques. R1 and R2 both underwent fluorescence emission upon their resp. interactions with Al³⁺ in an ethanol : water mixture (4 : 1, volume/volume). The binding modes of the receptors with Al³⁺ were studied through ¹H NMR spectroscopy, Job plots, and HR-MS, as well as through binding constant determination involving fluorescence titration data. The quenching of -C=N isomerization and of photoinduced electron transfer (PET) seem to be responsible for the fluorogenic switch-on situation of R1 and R2 with Al³⁺. At the same time, excited state intramol. proton transfer (ESIPT) also plays an important role in the ratiometric fluorescence response of R2, which is a consequence of a minor structural variation in R1 where the bromophenyl moiety is replaced with a naphthalene moiety. The mechanistic aspects of the sensing phenomenon are discussed in terms of ¹H NMR titration as well as theor. calculations at the d. functional level.

RSC Advances published new progress about 116-63-2. 116-63-2 belongs to naphthyridine, auxiliary class Sulfonic acid,Amine,Naphthalene,Alcohol,Organic Pigment, name is 4-Amino-3-hydroxynaphthalene-1-sulfonic acid, and the molecular formula is C17H14O5, HPLC of Formula: 116-63-2.

Referemce:
https://en.wikipedia.org/wiki/1,8-Naphthyridine,
1,8-Naphthyridine | C8H6N2 – PubChem

Scott, Lawrence T. published the artcileThermal migration of an ethynyl group from one benzene ring to another by reversible vinylidene C-H insertion, Recommanded Product: 9,10-Diethynylanthracene, the publication is Tetrahedron Letters (1997), 38(11), 1877-1880, database is CAplus.

Evidence is presented for the high temperature opening of a 5-membered ring by extrusion of a carbene (the reverse of a C-H bond insertion), which results in the net thermal migration of an ethynyl group from one benzene ring to another.

Tetrahedron Letters published new progress about 18512-55-5. 18512-55-5 belongs to naphthyridine, auxiliary class Alkynyl,Anthracene, name is 9,10-Diethynylanthracene, and the molecular formula is C14H15BF3NO2, Recommanded Product: 9,10-Diethynylanthracene.

Referemce:
https://en.wikipedia.org/wiki/1,8-Naphthyridine,
1,8-Naphthyridine | C8H6N2 – PubChem

Narayanan, Bhagavathi A. published the artcileRegression of mouse prostatic intraepithelial neoplasia by nonsteroidal anti-inflammatory drugs in the transgenic adenocarcinoma mouse prostate model, Name: Sulindac sulfone, the publication is Clinical Cancer Research (2004), 10(22), 7727-7737, database is CAplus and MEDLINE.

Epidemiol. studies have revealed a decreased risk of colon cancer among people who have regularly taken cyclooxygenase (COX)-2 inhibitors such as aspirin or other nonsteroidal anti-inflammatory drugs (NSAIDs). Whereas the selective COX-2 inhibitor celecoxib and exisulind, a metabolic product of sulindac, have gained increasing attention as efficacious chemopreventive agents against colon and prostate cancer, not much is known about the underlying mol. targets and mechanisms. Moreover, the side effects of NSAIDs are a major obstacle for large-scale application to the prevention of cancer in humans; for example, in the United States in 1998, there were 16,550 deaths from NSAID-induced gastrointestinal complications. The toxicity associated with these compounds is raising concerns, and more needs to be known about their mode of action and mol. targets. We used the transgenic mouse prostate (TRAMP) model, which exhibits similarities with human prostate cancer, including epithelial origin, progression from the PIN stage to adenocarcinoma, and metastasis by a transgene that is hormonally regulated by androgens. In addition to histol. analyzing the PIN lesions of the dorsolateral prostate from TRAMP mice, we delineated the mol. targets and mechanisms of celecoxib and exisulind against mouse PIN lesions. We performed Western blot anal. of the total protein lysate from the tissues of mouse PIN lesions to measure the level of expression of androgen receptor, vascular endothelial growth factor, nuclear factor-κB p65, BclII, AKT (total and phosphorylated Ser⁴⁷³), p53, cyclin-dependent kinase inhibitor p21^WAF1/CIP1, p27, BAX, and caspase-3 to demonstrate the COX-2-independent mechanism involved in the inhibition of PIN lesions of the dorsolateral prostate by both celecoxib and exisulind. We found for the first time that (a) both celecoxib and exisulind as dietary supplements induce strong inhibitory effects against prostate cancer at doses of 800 and 500 ppm, resp., after 16 wk; (b) the histol. anal. of the dorsolateral prostate after 2 wk of treatment indicated a reduction of PIN lesions from 75% to 19% with celecoxib and to 16% with exisulind; (c) more importantly, those few PINs and adenocarcinomas in the groups treated with celecoxib or exisulind showed more apoptotic cells, lower levels of proliferating cell nuclear antigen, and a lower number of mitotic cells. To understand the mol. mechanisms involved in the inhibition of PIN lesions, first, we examined the expression of mol. targets involved in angiogenesis and inflammatory processes. It was clearly evident from Western blot anal. of the total protein lysate derived from the dorsolateral prostate tissues with PIN lesions that expression of androgen receptor, vascular endothelial growth factor, nuclear factor-κB p65, and BclII is down-regulated more effectively by celecoxib. Down-regulation of AKT protein (total and phosphorylated at Ser⁴⁷³) signaling by celecoxib clearly indicates an inhibition of the survival gene and the pathol. process that could otherwise lead to adenocarcinoma. Overall, the findings from this study clearly show the effectiveness of celecoxib and exisulind in reducing the PIN lesions by modulating a cascade of mol. targets involved in COX-2-dependent and -independent mechanisms. Whereas these agents are already in clin. trial or in use as chemopreventive agents, findings from this study demonstrate the difference in their mode of action, thus helping us to understand the side effects.

Clinical Cancer Research published new progress about 59973-80-7. 59973-80-7 belongs to naphthyridine, auxiliary class Immunology/Inflammation,COX, name is Sulindac sulfone, and the molecular formula is C20H17FO4S, Name: Sulindac sulfone.

Referemce:
https://en.wikipedia.org/wiki/1,8-Naphthyridine,
1,8-Naphthyridine | C8H6N2 – PubChem

Mashal, Mohammad Shafiq published the artcileSimultaneous quantification of 19 nonsteroidal anti-inflammatory drugs in oral fluid by liquid chromatography-high resolution mass spectrometry: Application on ultratrail runners oral fluid, HPLC of Formula: 59973-80-7, the publication is Drug Testing and Analysis (2022), 14(4), 701-712, database is CAplus and MEDLINE.

Nonsteroidal anti-inflammatory drugs (NSAIDs) are a therapeutic class suspected to be used by ultratrail runners. The use of NSAIDs during ultratrails is known to be associated with various adverse effects. To study the prevalence of NSAIDs intake in ultratrail runners, oral fluid (OF) is a relevant matrix as it is noninvasive and easy to collect. The aim of our work was to develop and validate a liquid-liquid extraction followed by a liquid chromatog. (LC)-mass spectrometry (MS)/high resolution mass spectrometry (HRMS) method for the simultaneous quantification of 19 NSAIDs in OF. After a comparison of different liquid-liquid extraction methods, a double step liquid-liquid extraction with chloroform was performed on OF collected with Quantisal, with extraction recoveries higher than 90%. An Accucore AQ column was selected for the chromatog. separation of NSAIDs. The Q Exactive Plus mass spectrometer operated in full scan and ddms2 mode after pos. and neg. electrospray ionization. Selectivity, carry-over, matrix effect, and linearity were validated for all NSAIDs. Within-day and between-day accuracy and precision were validated for all NSAIDs (<15% for quality control [QC] samples and <20% for lower limit of quantitation [LLOQ]), except within-day accuracy for the LLOQ of mefenamic acid. A stability study was also performed on OF at room temperature and +4°C. The method was applied on OF from runners who participate to Ultra Trail du Mont Blanc.

Drug Testing and Analysis published new progress about 59973-80-7. 59973-80-7 belongs to naphthyridine, auxiliary class Immunology/Inflammation,COX, name is Sulindac sulfone, and the molecular formula is C20H17FO4S, HPLC of Formula: 59973-80-7.

Referemce:
https://en.wikipedia.org/wiki/1,8-Naphthyridine,
1,8-Naphthyridine | C8H6N2 – PubChem

Lee, Yong-Kyung published the artcileFree-Radical Polymerization of (R)-(-)-1-(1-Naphthyl)ethyl(2-methacryloyloxyethyl)urea and Chiral Recognition Ability, Safety of 2,2′-Dimethoxy-1,1′-binaphthalene, the publication is Macromolecules (2003), 36(13), 4735-4742, database is CAplus.

(R)-(-)-1-(1-Naphthyl)ethyl(2-methacryloyloxyethyl)urea (NEMOU) was synthesized from 2-methacryloyloxyethyl isocyanate (MOI) and (R)-(+)-1-(1-naphthyl)ethylamine. Radical homopolymerizations of NEMOU were performed in several solvents to obtain the corresponding chiral polymers that have hydrogen bonds based on urea moieties. Specific optical rotations of poly(NEMOU) changed by the measurement temperature, which may be attributed in part to change of conformation. From the results of radical copolymerizations of NEMOU with styrene (ST, M₂) or Me methacrylate (MMA, M₂), monomer reactivity ratios (r₁, r₂) and Alfrey-Price Q-e were determined: r₁ = 0.48, r₂ = 0.20, Q₁ = 1.41, e₁ = 0.74 for the NEMOU-ST system; r₁ = 0.55, r₂ = 0.16, Q₁ = 9.02, e₁ = 1.96 for the NEMOU-MMA system. The chiroptical property of the copolymers was strongly influenced by comonomer units. To examine the chiral recognition ability of poly(NEMOU), chiral stationary phases (CSPs) for high-performance liquid chromatog. (HPLC) were prepared from silica gel and poly(NEMOU). The CSPs resolved some racemates such as 1,2,3,4-tetrahydro-1-naphthol and N-benzyl-1-(1-methyl-2-methoxycarbonyl)ethylamine in n-hexane/2-propanol as mobile phase by HPLC. The chiral recognition ability of poly(NEMOU) may be ascribed not only to the interaction between the low mol. weight chiral selector and the racemates but also to the secondary and/or higher-ordered structure of the polymer.

Macromolecules published new progress about 2960-93-2. 2960-93-2 belongs to naphthyridine, auxiliary class Naphthalene,Ether,Other MOF ligands,Organic ligands for MOF materials, name is 2,2′-Dimethoxy-1,1′-binaphthalene, and the molecular formula is C22H18O2, Safety of 2,2′-Dimethoxy-1,1′-binaphthalene.

Referemce:
https://en.wikipedia.org/wiki/1,8-Naphthyridine,
1,8-Naphthyridine | C8H6N2 – PubChem