Tag: 200-300

On July 1, 2009, Ronco, Cyril; Sorin, Geoffroy; Nachon, Florian; Foucault, Richard; Jean, Ludovic; Romieu, Anthony; Renard, Pierre-Yves published an article.Reference of 2-Aminomalononitrile 4-methylbenzenesulfonate The title of the article was Synthesis and structure-activity relationship of Huprine derivatives as human acetylcholinesterase inhibitors. And the article contained the following:

A new series of huprines (12-amino-6,7,10,11-tetrahydro-7,11-methanocycloocta[b]quinolines, prepared as huperzine-tacrine hybrids) are prepared and their inhibition of recombinant human acetylcholinesterase (rh-AChE) is reported. We have synthesized two series of huprine analogs; in the first one, the benzene ring of the quinoline moiety has been replaced either by different heterocycles or by Ph groups with electron-withdrawing or electron-donating substituents. In the second series, different short linkers are introduced at the 12-positions of the huprine X and Y skeletons to evaluate the influence of modifications at the 12-position. The compounds are prepared from ethyl- or methyl-substituted bicyclo[3.3.1]non-6-en-3-one by Friedlaender reactions with o-aminocyano aromatic compounds The synthesis of two heterodimers with structures based on huprines has been also reported. Activities ranging from moderate to similar to those of huprines X and Y are obtained, with the most potent analog having a third of the activity of the parent huprines X and Y. Topol. data have been inferred from mol. docking; variation in activity with variation in the linking moieties suggest future structural modifications for activity improvement. The experimental process involved the reaction of 2-Aminomalononitrile 4-methylbenzenesulfonate(cas: 5098-14-6).Reference of 2-Aminomalononitrile 4-methylbenzenesulfonate

The Article related to huprine derivative preparation structure human acetylcholinesterase inhibitor, Pharmacology: Structure-Activity and other aspects.Reference of 2-Aminomalononitrile 4-methylbenzenesulfonate

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Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

On January 23, 2014, Schiaffo, Charles E.; Shi, Ce; Xiong, Zhengming; Olin, Michael; Ohlfest, John R.; Aldrich, Courtney C.; Ferguson, David M. published an article.Computed Properties of 5098-14-6 The title of the article was Structure-Activity Relationship Analysis of Imidazoquinolines with Toll-like Receptors 7 and 8 Selectivity and Enhanced Cytokine Induction. And the article contained the following:

Toll-like receptors 7 and 8 (TLRs) have emerged as key targets in the design of small mol. adjuvants and stimulants for use in immunotherapies. This study examines the structure-activity relationship of a series of C2- and N1-substituted C7-methoxy-carbonyl-imidazo-quinolines to gain insight to the structural basis to TLR-7 and -8 selective activity. The anal. is further applied to evaluate the induction of multiple cytokines, including IL-10, IL-12, IL-1β, TNF-α, IFN-α, and IFN-γ, using murine BMDCs and human PBMCs. The results show TLR-7/8 activity is correlated to the C2-alkyl chain length, with peak activity occurring for the Bu (TLR-7) and pentyl (TLR-8) derivatives A similar SAR is identified in the production of IL-1β, IL-12, and IFN-γ, which are shown to depend on both the C2-alkyl chain length and substitution to the N1-position. The compounds were also potent stimulators of IFN-α and IL-10 production but with less pronounced structure-based correlations. The experimental process involved the reaction of 2-Aminomalononitrile 4-methylbenzenesulfonate(cas: 5098-14-6).Computed Properties of 5098-14-6

The Article related to preparation structure imidazo quinoline derivative tlr7 tlr8 cytokine, Pharmacology: Structure-Activity and other aspects.Computed Properties of 5098-14-6

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On November 14, 2019, Focken, Thilo; Burford, Kristen; Grimwood, Michael E.; Zenova, Alla; Andrez, Jean-Christophe; Gong, Wei; Wilson, Michael; Taron, Matt; Decker, Shannon; Lofstrand, Verner; Chowdhury, Sultan; Shuart, Noah; Lin, Sophia; Goodchild, Samuel J.; Young, Clint; Soriano, Maegan; Tari, Parisa K.; Waldbrook, Matthew; Nelkenbrecher, Karen; Kwan, Rainbow; Lindgren, Andrea; de Boer, Gina; Lee, Stephanie; Sojo, Luis; DeVita, Robert J.; Cohen, Charles J.; Wesolowski, Steven S.; Johnson, J. P.; Dehnhardt, Christoph M.; Empfield, James R. published an article.Computed Properties of 1261686-95-6 The title of the article was Identification of CNS-Penetrant Aryl Sulfonamides as Isoform-Selective NaV1.6 Inhibitors with Efficacy in Mouse Models of Epilepsy. And the article contained the following:

Nonselective antagonists of voltage-gated sodium (NaV) channels have been long used for the treatment of epilepsies. The efficacy of these drugs is thought to be due to the block of sodium channels on excitatory neurons, primarily NaV1.6 and NaV1.2. However, these currently marketed drugs require high drug exposure and suffer from narrow therapeutic indexes. Selective inhibition of NaV1.6, while sparing NaV1.1, is anticipated to provide a more effective and better tolerated treatment for epilepsies. In addition, block of NaV1.2 may complement the anticonvulsant activity of NaV1.6 inhibition. We discovered a novel series of aryl sulfonamides as CNS-penetrant, isoform-selective NaV1.6 inhibitors, which also displayed potent block of NaV1.2. Optimization focused on increasing selectivity over NaV1.1, improving metabolic stability, reducing active efflux, and addressing a pregnane X-receptor liability. We obtained compounds 30-32, which produced potent anticonvulsant activity in mouse seizure models, including a d.c. maximal electroshock seizure assay. The experimental process involved the reaction of 2-(Bromomethyl)-6-fluorobenzonitrile(cas: 1261686-95-6).Computed Properties of 1261686-95-6

The Article related to cns penetrant aryl sulfonamide preparation epilepsy odium channel, Pharmacology: Structure-Activity and other aspects.Computed Properties of 1261686-95-6

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On June 14, 2012, Shi, Ce; Xiong, Zhengming; Chittepu, Padmaja; Aldrich, Courtney C.; Ohlfest, John R.; Ferguson, David M. published an article.Computed Properties of 5098-14-6 The title of the article was Discovery of Imidazoquinolines with Toll-Like Receptor 7/8 Independent Cytokine Induction. And the article contained the following:

Toll-like receptors (TLRs) are key targets in the design of immunomodulating agents for use as vaccine adjuvants and anticancer treatments. The imidazoquinolines, imiquimod and resiquimod, have been shown to activate TLR-7 and -8, which in turn induce cytokine production as part of the innate immune response. Herein, we report the synthesis and discovery of a C7-methoxycarbonyl derivative of imiquimod (5, I) that stimulates cytokine production but is devoid of TLR-7/8 activity. Data are presented that shows that this analog not only induces IL-12p40 and TNF production, similar to that of imiquimod and resiquimod, but greatly enhances the production of IL-1β, a key cytokine involved in the activation of CD4 T cells. It is further demonstrated that TLR-7/8 activation can be recovered by the addition of a C2-alkyl substituent to this newly discovered analog. The results support the existence of an alternative mechanism of action by which imidazoquinolines can stimulate cytokine production The experimental process involved the reaction of 2-Aminomalononitrile 4-methylbenzenesulfonate(cas: 5098-14-6).Computed Properties of 5098-14-6

The Article related to imidazoquinoline preparation toll like receptor cytokine sar, Pharmacology: Structure-Activity and other aspects.Computed Properties of 5098-14-6

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Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

On February 24, 2021, Cheng, Qiuli; Asha, Anika Benozir; Liu, Yang; Peng, Yi-Yang; Diaz-Dussan, Diana; Shi, Zuosen; Cui, Zhanchen; Narain, Ravin published an article.Product Details of 5098-14-6 The title of the article was Antifouling and Antibacterial Polymer-Coated Surfaces Based on the Combined Effect of Zwitterions and the Natural Borneol. And the article contained the following:

The development and application of natural antibacterial materials have always been the focus of biomedical research. Borneol as a natural antibacterial compound has received extensive attention. However, the hydrophobicity caused by its unique structure limits its application range to a certain extent. In this study, we combine zwitterionic 2-methacryloyloxyethyl phosphorylcholine (MPC) with a complex bicyclic monoterpene structure borneol compound and prepare an excellent antifouling and antibacterial surface via the Schiff-base bond. The prepared coating has excellent hydrophilicity verified by the contact angle (CA), and its polymer layer is confirmed by XPS. The zwitterion MPC and borneol moieties in the copolymer play a coordinating role, relying on super hydration and the special stereochem. structure to prevent protein adsorption and inhibit bacterial adhesion, resp., which are demonstrated by bovine serum albumin (BSA) adsorption and antibacterial activity test. Moreover, the water-soluble borneol derivative as the antibacterial surfaces we designed here was biocompatible toward MRC-5 (lung fibroblasts), as showed by in vitro cytotoxicity assays. Such results indicate the potential application of the as-prepared hydrophilic surfaces in the biomedical materials. The experimental process involved the reaction of 2-Aminomalononitrile 4-methylbenzenesulfonate(cas: 5098-14-6).Product Details of 5098-14-6

The Article related to antifouling antibacterial polymer surface coating zwitterion borneol biocompatibility, antibacterial, antifouling, biocompatibility, hydrophilic, zwitterion, Pharmaceuticals: Prosthetics and Medical Goods and other aspects.Product Details of 5098-14-6

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Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Bizzarri, Bruno Mattia; Fanelli, Angelica; Botta, Lorenzo; De Angelis, Marta; Palamara, Anna Teresa; Nencioni, Lucia; Saladino, Raffaele published an article in 2021, the title of the article was Aminomalononitrile inspired prebiotic chemistry as a novel multicomponent tool for the synthesis of imidazole and purine derivatives with anti-influenza A virus activity.Recommanded Product: 2-Aminomalononitrile 4-methylbenzenesulfonate And the article contains the following content:

Amino imidazole carbonitrile derivatives decorated with α-amino acid side-chains have been synthesized by a multicomponent microwave assisted reaction inspired by the prebiotic chem. of aminomalononitrile as a tool for generating high chem. diversity. These compounds were used as annulation synthons for the preparation of 8,9-disubstituted-6,9-dihydro-1H-purin-6-ones by reaction with formic acid as a simple C-1 donor reagent. The novel heterocycles were characterized by significant activity against influenza A virus, amino imidazole carbonitrile derivatives showing the highest activity. Thus, the chem. complexity generated by prebiotic chem. furnished a general tool for the identification of novel antiviral agents. The experimental process involved the reaction of 2-Aminomalononitrile 4-methylbenzenesulfonate(cas: 5098-14-6).Recommanded Product: 2-Aminomalononitrile 4-methylbenzenesulfonate

The Article related to imidazole purine derivative aminomalononitrile prebiotic chem antiinfluenza virus activity, Placeholder for records without volume info and other aspects.Recommanded Product: 2-Aminomalononitrile 4-methylbenzenesulfonate

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Cox, Oakley B.; Krojer, Tobias; Collins, Patrick; Monteiro, Octovia; Talon, Romain; Bradley, Anthony; Fedorov, Oleg; Amin, Jahangir; Marsden, Brian D.; Spencer, John; von Delft, Frank; Brennan, Paul E. published an article in 2016, the title of the article was A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain.Quality Control of 2-Aminomalononitrile 4-methylbenzenesulfonate And the article contains the following content:

Research into the chem. biol. of bromodomains has been driven by the development of acetyl-lysine mimetics. The ligands are typically anchored by binding to a highly conserved asparagine residue. Atypical bromodomains, for which the asparagine is mutated, have thus far proven elusive targets, including PHIP(2) whose parent protein, PHIP, has been linked to disease progression in diabetes and cancers. The PHIP(2) binding site contains a threonine in place of asparagine, and solution screening have yielded no convincing hits. We have overcome this hurdle by combining the sensitivity of X-ray crystallog., used as the primary fragment screen, with a strategy for rapid follow-up synthesis using a chem.-poised fragment library, which allows hits to be readily modified by parallel chem. both peripherally and in the core. Our approach yielded the first reported hit compounds of PHIP(2) with measurable IC50 values by an AlphaScreen competition assay. The follow-up libraries of four poised fragment hits improved potency into the sub-mM range while showing good ligand efficiency and detailed structural data. The experimental process involved the reaction of 2-Aminomalononitrile 4-methylbenzenesulfonate(cas: 5098-14-6).Quality Control of 2-Aminomalononitrile 4-methylbenzenesulfonate

The Article related to poised fragment library phip inhibitor bromodomain crystal structure, Placeholder for records without volume info and other aspects.Quality Control of 2-Aminomalononitrile 4-methylbenzenesulfonate

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On June 30, 2001, Steiner, Thomas published an article.Related Products of 5098-14-6 The title of the article was The C-H…O hydrogen bond in (dicyanomethyl)ammonium p-toluenesulfonate. And the article contained the following:

In the title compound, C3H4N3+·C7H7O3S-, the activated C-H group of the cation forms a short but bent C-H…O H bond with a sulfonate O atom of the anion; C…O = 3.075(5) Å and C-H…O = 130°. Crystallog. data are given. The experimental process involved the reaction of 2-Aminomalononitrile 4-methylbenzenesulfonate(cas: 5098-14-6).Related Products of 5098-14-6

The Article related to mol structure cyanomethylammonium toluenesulfonate, hydrogen bonding cyanomethylammonium toluenesulfonate, Crystallography and Liquid Crystals: Crystal Structure and other aspects.Related Products of 5098-14-6

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On July 30, 2019, Toh, Rou Jun; Evans, Richard; Thissen, Helmut; Voelcker, Nicolas H.; d’Ischia, Marco; Ball, Vincent published an article.Category: nitriles-buliding-blocks The title of the article was Deposition of Aminomalononitrile-Based Films: Kinetics, Chemistry, and Morphology. And the article contained the following:

In the last few years, the development of versatile coating chemistries has become a hot topic in surface science after the discovery that catecholamines can lead to conformal coatings upon oxidation from aqueous solutions Recently, it was found that aminomalononitrile (AMN), a mol. implicated in the appearance of life on earth, is an excellent prototype of novel material-independent surface functionalizing agents leading to conformal and biocompatible coatings in a simple and direct chem. process from aqueous solutions So far, very little insight has been gained regarding the mechanisms underlying coating deposition. In this paper, we show that the chem. evolution of AMN film deposition under slightly basic conditions is different in solution and on silica. Thereon, the coating proceeds via a nucleation process followed by further deposition of islands which evolve to produce nitrogen-rich superhydrophilic fibrillar structures. Addnl., we show that AMN-based material can form films at the air-solution interface from unshaken solutions These results open new vistas into the chem. of HCN-derived species of potential relevance in materials science. The experimental process involved the reaction of 2-Aminomalononitrile 4-methylbenzenesulfonate(cas: 5098-14-6).Category: nitriles-buliding-blocks

The Article related to aminomalononitrile film surface structure, Surface Chemistry and Colloids: Solid-Liquid Systems and other aspects.Category: nitriles-buliding-blocks

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Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

On February 1, 2021, Yang, Bowen; Wu, Qian; Huan, Xiajuan; Wang, Yingqing; Sun, Yin; Yang, Yueyue; Liu, Tongchao; Wang, Xin; Chen, Lin; Xiong, Bing; Zhao, Dongmei; Miao, Zehong; Chen, Danqi published an article.Category: nitriles-buliding-blocks The title of the article was Discovery of a series of 1H-pyrrolo[2,3-b]pyridine compounds as potent TNIK inhibitors. And the article contained the following:

In an inhouse screening, 1H-pyrrolo[2,3-b]pyridine scaffold was found to have high inhibition on TNIK. Several series of compounds were designed and synthesized, among which some compounds had potent TNIK inhibition with IC50 values lower than 1 nM. Some compounds showed concentration-dependent characteristics of IL-2 inhibition. These results provided new applications of TNIK inhibitors and new prospects of TNIK as a drug target. The experimental process involved the reaction of 3-Amino-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile(cas: 1036991-35-1).Category: nitriles-buliding-blocks

The Article related to pyrrolopyridine drug discovery synthesis potent tnik inhibitor, 1h-pyrrolo[2,3-b]pyridine, il-2 secretion inhibitory, tnik inhibitor, Heterocyclic Compounds (One Hetero Atom): Pyridines and other aspects.Category: nitriles-buliding-blocks

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts