Tag: M.W=100-150

Jiang, Xiangyi published the artcileDiscovery of novel 1,4-disubstituted 1,2,3-triazole phenylalanine derivatives as HIV-1 capsid inhibitors, SDS of cas: 5961-59-1, the main research area is structure activity HIV capsid inhibitor triazole phenylalanine; triazole phenylalanine derivative preparation HIV capsid inhibitor; CuAAC; HIV-1; HIV-1 capsid protein; Molecular dynamics simulation; Phenylalanine derivatives; SAR; Surface plasmon resonance.

The HIV-1 capsid (CA) protein plays crucial roles in both early and late stages of the viral life cycle, which has intrigued researchers to develop anti-HIV drugs that target it. Accordingly, in this research, we report the design, synthesis and biol. evaluation of a series of novel phenylalanine derivatives as HIV-1 CA protein inhibitors using the Cu(I)-catalyzed azide and alkyne 1,3-dipolar cycloaddition (CuAAC) reaction. Among this series of inhibitors, compound I displayed a remarkable anti-HIV activity (EC50 = 2.13μM, CC50 > 35.49μM). Furthermore, surface plasmon resonance (SPR) binding assays showed that compounds I and PF-74 (II, lead compound) have similar affinities to the HIV-1 CA monomer. Further investigation showed that the weak permeability and water solubility of representative compounds were probably the important factors that restricted their cell-based activity. Preliminary structure-activity relationships (SARs) were inferred based on the activities of these compounds and their known structure. The most promising new compound was studied with mol. dynamics simulation (MD) to determine the preferred interactions with the drug target. Finally, the activities of members of this series of inhibitors were deeply inspected to find the potential reasons for their anti-HIV-1 activity from various perspectives. This highlights the important factors required to design compounds with improved potency.

RSC Advances published new progress about Anti-HIV agents. 5961-59-1 belongs to class isoquinoline, name is 4-Methoxy-N-methylaniline, and the molecular formula is C8H11NO, SDS of cas: 5961-59-1.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Wang, Lei published the artcileChemical profiling of HIV-1 capsid-targeting antiviral PF74, Application of 4-Methoxy-N-methylaniline, the main research area is indole peptidomimetic synthesis antiviral HIV cytotoxicity CA hexamer stability; Capsid-targeting antivirals; HIV-1; PF74.

The capsid protein (CA) of HIV-1 plays essential roles in multiple steps of the viral replication cycle by assembling into functional capsid core, controlling the kinetics of uncoating and nuclear entry, and interacting with various host factors. Targeting CA represents an attractive yet underexplored antiviral approach. Of all known CA-targeting small mol. chemotypes, the peptidomimetic PF74, I, is particularly interesting because it binds to the same pocket used by a few important host factors, resulting in highly desirable antiviral phenotypes. However, further development of I entails understanding its pharmacophore and mitigating its poor metabolic stability. We report herein the design, synthesis, and evaluation of a large number of I analogs aiming to provide a comprehensive chem. profiling of I and advance the understanding on its detailed binding mechanism and pharmacophore. The analogs, containing structural variations mainly in the aniline domain and/or the indole domain, were assayed for their effect on stability of CA hexamers, antiviral activity, and cytotoxicity. Selected analogs were also tested for metabolic stability in liver microsomes, alone or in the presence of a CYP3A inhibitor. Collectively, our studies identified important pharmacophore elements and revealed addnl. binding features of I, which could aid in future design of improved ligands to better probe the mol. basis of CA-host factor interactions, design strategies to disrupt them, and ultimately identify viable CA-targeting antiviral leads.

European Journal of Medicinal Chemistry published new progress about Anti-HIV agents. 5961-59-1 belongs to class isoquinoline, name is 4-Methoxy-N-methylaniline, and the molecular formula is C8H11NO, Application of 4-Methoxy-N-methylaniline.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Ayers, Emily C. published the artcileAntibody and T-cell responses to Covid-19 mRNA vaccines in patients with B-cell lymphomas and chronic lymphocytic leukemia (CLL), Synthetic Route of 151-10-0, the main research area is COVID19 mRNA vaccine B cell lymphoma chronic lymphocytic leukemia.

While the approval of three com. vaccines for the SARS-CoV-2 virus has provided upwards of 95% protection against the coronavirus for healthy subjects, the efficacy among patients with hematol. malignancies remains unknown. Immune dysfunction and impaired humoral responses to other vaccines are well documented in patients with CLL and B-cell lymphomas. Furthermore, they suffer increased risk of morbidity and mortality with Covid-19 infections compared to healthy controls. As such, the immune response elicited by the available Covid-19 vaccines in these patients is of utmost importance to investigate. We performed a prospective exploratory anal. in CLL and B-cell lymphoma patients to evaluate humoral and T-cell responses to the com. available mRNA Covid-19 vaccines. The objective was to obtain samples at baseline and 2-3 wk post-vaccination, although some samples were obtained outside of this timeframe. IgG to the SARS-CoV-2 spike receptor-binding domain (RBD) was quantified using the ImmunoCAP platform (Thermo Fisher); results were compared to data from 167 subjects in a healthy vaccine cohort at the University of Virginia. T-cell responses to spike protein of SARS-CoV-2 were measured in 3 NHL patients and 3 matched healthy controls at 2-3 wk post-2nd vaccine dose, by T cell receptor dependent activation-induced marker (AIM) assay using pooled peptides spanning spike protein. Among 18 patients currently evaluable, median age is 67 y and 72% are male. Diagnoses include CLL (5), marginal zone lymphoma (MZL; 4), diffuse large B-cell lymphoma (3), follicular lymphoma (1), mantle cell lymphoma (MCL;4), and Waldenstrom’s macroglobulinemia (1). All patients except 1 MZL patient are currently receiving or have received systemic treatment for their hematol. malignancy. Treatments include immunochemotherapy in 5 patients, Bruton’s tyrosine kinase inhibitors (BTKi) with or without anti-CD20 monoclonal antibody therapy in 5, single agent anti-CD20 monoclonal antibody in 4, and other targeted therapy in 4 patients including venetoclax, lenalidomide, and bortezomib. Two patients had received prior autologous stem cell transplantation, 1 patient allogeneic transplantation, and 1 patient chimeric antigen receptor T-cell therapy. Among patients on therapy (n = 10), median time from start of current treatment to Covid-19 vaccine was 136 days (range 13 – 829d). In patients who had completed therapy (n = 8), median time from end of last treatment to vaccine was 153 days (range 37 – 355d). Seven patients had a blood sample drawn between 1 wk and 1 mo post-second mRNA vaccine dose. IgG antibody levels to spike RBD were markedly lower in NHL/CLL patients compared to those observed in the control cohort (median 2.1μg/mL [IQR 0.23-7.6μg/mL] vs. 60.3μg/mL [IQR 42.5-87.0μg/mL], Mann-Whitney P<0.001). Of the 16 samples that were obtained post-vaccine dose 2, nine had IgG levels less than 2μg/mL (manufacturer lower threshold of detection), whereas only 5 of 252 samples from the control cohort were less than this level (Chi-square P<0.001, RR = 39.6 (95%CI 15.1-100)). Antibody responses were independent of type of therapy. The percentage of total lymphocytes and T cells was generally reduced in NHL patients vs. controls; however, CD4+ T cells responding to spike protein were readily detected, despite the absence of antibody responses in 2 of these patients, both of whom had MCL. Curiously, 2 patients (1 MZL with and 1 MCL patient without antibodies) displayed a higher percentage of activated CD4+ T cells compared to controls, and CD8+ T cells also responded in each of these patients. T-cell responses were specific for spike protein as evidenced by no response to peptides of whole nucleoprotein. Compared to a reference cohort, patients with B-cell malignancies, both treatment-naive and on treatment, have impaired antibody response to the com. available mRNA Covid-19 vaccines. Despite this, virus-responsive T-cells can be readily detected, even in the absence of antibodies. Further research is needed to determine whether antibody levels can be used as a biomarker for vaccine efficacy, whether the presence of virus-specific T-cells confers protection in the absence of antibodies, and to determine the effect of booster doses of vaccine on immune response. Blood published new progress about B-cell lymphoma. 151-10-0 belongs to class isoquinoline, name is 1,3-Dimethoxybenzene, and the molecular formula is C8H10O2, Synthetic Route of 151-10-0.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Almeida, P. V. published the artcileIntegrated management of residues from tomato production: Recovery of value-added compounds and biogas production in the biorefinery context, Quality Control of 151-10-0, the main research area is tomato biogas production biorefinery; Anaerobic digestion; Carotenoids; Phenolic compounds; Solid-liquid extraction; Tomato residues; Volatiles.

The biorefinery approach must be boosted in the management of agro-residues in the future. The present study aims to investigate the valorization of tomato production residues, namely rotten tomato (unfit for consumption – RT), green tomato (GT), and tomato branches (TB). The assessment involves the recovery of value-added compounds through the extraction process followed by biogas production through anaerobic digestion. A thorough characterization of the three residues (RT, GT, and TB) was carried out, including the identification of volatile compounds by solid-phase microextraction (SPME) and gas chromatog./mass spectrometry (GC/MS). The volatiles anal. revealed the presence of flavor enhancer compounds and mols. with insecticidal properties. A solid-liquid extraction with ethanol allowed the recovery of value-added compounds in the extracts, in particular phenolic compdounds, β-carotene, and lycopene, which contributed to the antioxidant activity. RT and TB extracts were found to be richer in total phenolic compounds (∼27 mg GAE/gdb dry basis) and exhibited higher antioxidant activity (IC50 = 0.911 and 0.745 mg/mL). The tomato branches extract had the highest concentration of carotenoids with 37.23 and 3.08 mg/kgdb of β-carotene and lycopene, resp. The biochem. methane potential (BMP) was assessed in sealed reactors operating in anaerobic conditions for all the raw (RT, GT, and TB) and extracted substrates waste (RTe, GTe, and TBe). While the BMP of RT and GT was in the range of 232-285 mL CH4/g VS, a lower value of 141 mL CH4/g VS was obtained for TB. The methane production for each pair of raw and extracted substrates (RT/RTe, GT/GTe, and TB/TBe) was considered statistically similar at a 95 % confidence level. Overall, the value-added compounds recovery through ethanolic extraction did not compromise the methane production of the materials.

Journal of Environmental Management published new progress about Biodegradability. 151-10-0 belongs to class isoquinoline, name is 1,3-Dimethoxybenzene, and the molecular formula is C8H10O2, Quality Control of 151-10-0.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Lin, Hao-Sheng published the artcilePolyaromatic Nanotweezers on Semiconducting Carbon Nanotubes for the Growth and Interfacing of Lead Halide Perovskite Crystal Grains in Solar Cells, Recommanded Product: 1,3-Dimethoxybenzene, the main research area is nanotweezer carbon nanotube surfactant lead halide perovskite solar cell.

Perovskite crystal grain size control, grain boundary passivation, and grain bridging are the keys to obtaining high efficiency in perovskite solar cells. A small amount of semiconducting single-walled carbon nanotubes added to a perovskite active layer can achieve this. In particular, the surfactants attached to the semiconducting single-walled carbon nanotubes a crucial role. In this work, we synthesized a new surfactant, 4,6-di(anthracen-9-yl)-1,3-phenylene bis(dimethylcarbamate), which has a polyaromatic group on one end and a urea-analog carbamate group on the other end. The polyaromatic anthracene end functions as a nanotweezer clenching the carbon nanotubes strongly via π-π interaction while the carbamate end interacts with Pb2+, functioning as a strong Lewis base. In addition, the new surfactant has conjugated double bonds with a suitable bandgap, resulting in enhanced charge mobility in the perovskite film. Overall, the new surfactant-clenched semiconducting carbon nanotubes showcase superior effectiveness as passivators and charge bridges in perovskite solar cells as compared to the conventional deoxycholate surfactant-wrapped semiconducting single-walled carbon nanotubes. The new surfactant-attached semiconducting carbon nanotube-added NH3CH3PbI3-based perovskite solar cells exhibited a power conversion efficiency of 20.7%, which is higher than that of the reference devices with no additives (18.4%) and the previously reported semiconducting single-walled carbon nanotube-added devices (19.7% in this work and 19.5% in the literature).

Chemistry of Materials published new progress about Carbon nanotubes. 151-10-0 belongs to class isoquinoline, name is 1,3-Dimethoxybenzene, and the molecular formula is C8H10O2, Recommanded Product: 1,3-Dimethoxybenzene.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Schlisske, Stefan published the artcileDesign and Color Flexibility for Inkjet-Printed Perovskite Photovoltaics, Category: isoquinoline, the main research area is perovskite solar cell color perception inkjet printing luminescence downshifting.

In this work we report on the coloring of perovskite solar cells (PSC) by combining the ease of freedom in design of the solar cell’s shape with the bright color of luminescent down-shifting (LDS) layers. Both the perovskite solar cell and the LDS layers are fabricated with digital inkjet-printing processes, such that the perceived color of the devices can be tuned independently from the shape of the device. The results demonstrate that a strong color perception of the PSCs with the use of luminescent materials of various colors can be achieved at a relatively small (∼17%) reduction of power conversion efficiency.

ACS Applied Energy Materials published new progress about Ink-jet printing. 151-10-0 belongs to class isoquinoline, name is 1,3-Dimethoxybenzene, and the molecular formula is C8H10O2, Category: isoquinoline.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Mayoka, Godfrey published the artcileStructure-Activity Relationship and in Vitro Absorption, Distribution, Metabolism, Excretion, and Toxicity (ADMET) Studies of N-aryl 3-Trifluoromethyl Pyrido[1,2-a]benzimidazoles That Are Efficacious in a Mouse Model of Schistosomiasis, Computed Properties of 5961-59-1, the main research area is Schistosoma mansoni newly transformed schistosomula antschistosomal lead; Schistosoma mansoni; antischistosomal lead; newly transformed schistosomula; pyrido[1,2-a]benzimidazole.

We have previously reported on the antischistosomal activity of pyrido[1,2-a]benzimidazole (PBI) derivatives As a follow-up, we designed and prosecuted further structure-activity relationship (SAR) studies that incorporate N-aryl substitutions on the PBI scaffold. Investigations into the in vitro antischistosomal activity against newly transformed schistosomula (NTS) and adult worms revealed several leads with promising potency. Active compounds with a good cytotoxicity profile were tested in vivo whereby 6 and 44 induced noteworthy reduction (62-69%) in the worm load in the Schistosoma mansoni mouse model. Pharmacokinetic anal. on 44 (8-Dichloro-1-((2-fluorobenzyl)amino)-3(trifluoromethyl)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile) pointed to slow absorption, low volume of distribution, and low plasma clearance indicating the potential of these compounds to achieve a long duration of action. Overall, our work demonstrates that PBI chemotype is a promising scaffold in the discovery of new antischistosomal leads.

ACS Infectious Diseases published new progress about Pharmacokinetics. 5961-59-1 belongs to class isoquinoline, name is 4-Methoxy-N-methylaniline, and the molecular formula is C8H11NO, Computed Properties of 5961-59-1.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Neiva, Duarte M. published the artcileLignin from Tree Barks: Chemical Structure and Valorization, Application In Synthesis of 151-10-0, the main research area is lignin tree bark valorization; NMR spectroscopy; biomass; phenol; pyrolysis; renewable resources.

Lignins from different tree barks, including Norway spruce (Picea abies), eucalyptus (Eucalyptus globulus), mimosa (Acacia dealbata) and blackwood acacia (A. melanoxylon), are thoroughly characterized. The lignin from E. globulus bark is found to be enriched in syringyl (S) units, with lower amounts of guaiacyl (G) and p-hydroxyphenyl (H) units (H/G/S ratio of 1:26:73), which produces a lignin that is highly enriched in β-ether linkages (83%), whereas those from the two Acacia barks have similar compositions (H/G/S ratio of ≈5:50:45), with a predominance of β-ethers (73-75%) and lower amounts of condensed carbon-carbon linkages; the lignin from A. dealbata bark also includes some resorcinol-related compounds, that appear to be incorporated or intimately associated to the polymer. The lignin from P. abies bark is enriched in G units, with lower amounts of H units (H/G ratio of 14:86); this lignin is thus depleted in β-O-4′ alkyl-aryl ether linkages (44%) and enriched in condensed linkages. Interestingly, this lignin contains large amounts of hydroxystilbene glucosides that seem to be integrally incorporated into the lignin structure. This study indicates that lignins from tree barks can be seen as an interesting source of valuable phenolic compounds Moreover, this study is useful for tailoring conversion technologies for bark deconstruction and valorization.

ChemSusChem published new progress about Acacia dealbata. 151-10-0 belongs to class isoquinoline, name is 1,3-Dimethoxybenzene, and the molecular formula is C8H10O2, Application In Synthesis of 151-10-0.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Zima, Vaclav published the artcileInvestigation of flexibility of neuraminidase 150-loop using tamiflu derivatives in influenza A viruses H1N1 and H5N1, COA of Formula: C8H11NO, the main research area is influenza A virus H1N1 H5N1 neuraminidase 150 loop antiviral; tamiflu oseltamivir crystal structure; Click chemistry; Crystal structure; Influenza neuraminidase; Oseltamivir.

This study focuses on design, synthesis and in vitro evaluation of inhibitory potency of two series of sialylmimetic that target an exosite (“”150-cavity””) adjacent to the active site of influenza neuraminidases from A/California/07/2009 (H1N1) pandemic strain and A/chicken/Nakorn-Patom/Thailand/CU-K2-2004 (H5N1). The structure-activity anal. as well as 3-D structure of the complex of parental compound with the pandemic neuraminidase p09N1 revealed high flexibility of the 150-cavity towards various modification of the neuraminidase inhibitors. Furthermore, our comparison of two methods for inhibition constant determination performed at slightly different pH values suggest that the exptl. conditions of the measurement could dramatically influence the outcome of the anal. in the compound-dependent manner. Therefore, previously reported Ki values determined at non-physiol. pH should be carefully scrutinized.

Bioorganic & Medicinal Chemistry published new progress about Antiviral agents. 5961-59-1 belongs to class isoquinoline, name is 4-Methoxy-N-methylaniline, and the molecular formula is C8H11NO, COA of Formula: C8H11NO.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Maadwar, Sasikala published the artcileA facile and an efficient synthesis of 3, 3-disubstituted oxindole scaffolds and their cytotoxic properties, Category: isoquinoline, the main research area is diphenyl indolinone preparation antitumor activity SAR.

3,3-Disubstituted oxindole derivatives I [R = H, Me, Cl, etc.; R1 = 1,2-dimethoxy, 1,3-dimethoxy, 1,4-dimethoxy, 1,3,5-trimethoxy] were synthesized by treating isatins with electron rich benzene derivatives at room temperature by using BF3·O(Et)2 as catalyst which reduced the synthesis time. The compounds I were evaluated for cytotoxic activity against human breast cancer cells (MCF7) and human ovarian carcinoma cells (SKVO3) by using MTT assay. Compounds I [R = Cl, Br; R1 = 1,3,5-trimethoxy] (7.2±0.22μM and 11.80.21±μM), 2(7.10.24±μM and 9.8±0.27μM), exhibited relatively higher cytotoxic activity against both MCF7 and SKVO3 cell lines, resp.

International Research Journal of Pharmacy published new progress about Antitumor agents. 151-10-0 belongs to class isoquinoline, name is 1,3-Dimethoxybenzene, and the molecular formula is C8H10O2, Category: isoquinoline.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem