Month: June 2021

New discoveries in chemical research and development in 2021.Recommanded Product: 3-Hydroxypropionic Acid (contains varying amounts of 3,3-Oxydipropionic Acid), The reactant in an enzyme-catalyzed reaction is called a substrate. Enzyme inhibitors cause a decrease in the reaction rate of an enzyme-catalyzed reaction. 503-66-2, Name is 3-Hydroxypropionic Acid (contains varying amounts of 3,3-Oxydipropionic Acid), molecular formula is C3H6O3. In an article, author is Keles, Ergin,once mentioned of 503-66-2.

A simple colorimetric and fluorimetric chemosensor 3,5-dinitro-(N-phenyl)benzamide (DNBA), was synthesized for selective determination of cyanide anion in organic and aqueous solutions via novel chemodosimeter approach. The chemosensorDNBAshowed a chromogenic and fluorogenic selective response to CN(-)against competing anions such as F-, AcO-, and H(2)PO(4)(-)in organic (DMSO and ACN) and in aqueous solutions (in DMSO/H2O: 8:2, v/v). The intensive colorimetric and fluorimetric color changes were observed in ambient light and UV-light (lambda(ex). 365 nm) after cyanide interacted withDNBA. A method that can be used in the synthesis of new biologically active benzisoxazole compound was described by the reaction ofDNBAwith TBACN and KCN in DMSO or DMSO/H2O, respectively. All interaction mechanisms betweenDNBAand cyanide and fluoride anions were demonstrated by experimental studies using various spectroscopic methods such as UV/Vis, fluorescence,H-1/C-13 NMR, and mass spectrometry as well as X-ray diffraction method. In addition, the experimental results were also explained with theoretical data. The spectroscopic results showed that cyanide interacts with three different mechanisms; deprotonation, nucleophilic aromatic substitution, and formation of benzisoxazole ring.

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Reference:
Benzisoxazole – Wikipedia,
,Benzisoxazole – an overview | ScienceDirect Topics

Chemical Research Letters, May 2021. In an article, author is Millan, MJ, once mentioned the application of 99189-60-3, Name is 2-[1-(2-Amino-2-oxoethyl)cyclohexyl]acetic Acid, molecular formula is C10H17NO3, molecular weight is 199.25, MDL number is MFCD02181086, category is benzisoxazole. Now introduce a scientific discovery about this category, Formula: https://www.ambeed.com/products/99189-60-3.html.

The novel benzodioxopyrrolidine (S-16924) displays a clozapine-like profile of interaction with multiple monoaminergic receptors, in addition to potent agonist activity at serotonin (5-HT)(1A) receptors. S-16924 (2.5 mg/kg i.p.) and clozapine (5.0 mg/kg i.p.) generated robust discriminative stimuli (DS) and displayed full mutual generalization. The D-4 antagonists L-745,870 and S-18126, the D-1/D-5 antagonist SCH-39166, and the D-3 antagonist S-14297 showed at most partial generalization to S-16924 and clozapine. The D-2/D-3 antagonist raclopride fully generalized to S-16924, but only partially generalized to clozapine. The 5-HT2A antagonist MDL-100,907 fully generalized to S-16924 and two further 5-HT2A antagonists, fananserin and SR-46349, showed partial generalization. However, MDL-100,907, fananserin, and SR-46349 showed less pronounced generalization to clozapine. Similarly, the 5-HT2C antagonists SB-200,646 and SB-206,553 more markedly generalized to S-16924 than to clozapine. The 5-HT1A receptor agonist (+/-)-8-dihydroxy-2-(di-n-propylamino) tetralin generalized fully to S-16924 but not to clozapine. Full generalization was obtained to both S-16924 and clozapine for the clozapine congeners, olanzapine and quetiapine. In distinction, the benzisoxazole, risperidone, and the phenylindole, sertindole, weakly generalized to S-16924 and clozapine. However, the benzisoxazole ziprasidone, which possesses 5-HT1A agonist properties, generalized fully to S-16924 but not to clozapine. Finally, the muscarinic antagonist scopolamine generalized fully to clozapine and partially to S-16924. In conclusion, S-16924 and clozapine display both communalities and differences in their compound DS; this likely reflects their respective complex patterns of interaction with multiple monoaminergic receptors. Although no specific receptor was identified as underlying the clozapine DS, 5-HT1A agonist as well as D-2 and 5-HT2A/2C antagonist properties contribute to the S-16924 DS.

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Reference:
Benzisoxazole – Wikipedia,
,Benzisoxazole – an overview | ScienceDirect Topics

Chemical Research Letters, May 2021. In an article, author is Hotta, K, once mentioned the application of 83249-10-9, Name is 3-(Methoxycarbonyl)bicyclo[1.1.1]pentane-1-carboxylic acid, molecular formula is C8H10O4, molecular weight is 170.1626, MDL number is MFCD20638314, category is benzisoxazole. Now introduce a scientific discovery about this category, Computed Properties of https://www.ambeed.com/products/83249-10-9.html.

Monoclonal antibodies were generated against a 3-phenyl-1,2-benzisoxazole derivative and shown to catalyze the solvent-sensitive decarboxylation of 3-carboxy-1,2-benzisoxazoles. In addition to rare accelerations up to 2300-fold over background, the antibodies exhibit distinctive selectivities for substrates bearing 5- or 6-NO2 substituents, with preferential decarboxylation of the less reactive substrate in one case. These effects are the likely consequence of substrate destabilization, achieved by forcing the carboxylate group into a relatively apolar binding pocket and stabilization of the charge-delocalized transition state through dispersive interactions. Comparison with a more active antibody decarboxylase previously raised against 2-acetamido-naphthalene-1,5-disulfonate suggests, however, that a judicious mix of polar and apolar interactions may ultimately be more effective for achieving high decarboxylase activity.

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Reference:
Benzisoxazole – Wikipedia,
,Benzisoxazole – an overview | ScienceDirect Topics

Chemistry, like all the natural sciences, begins with the direct observation of nature— in this case, of matter. 79-14-1, Name is 2-Hydroxyacetic acid, SMILES is O=C(O)CO, in an article , author is Dash, Radha Charan, once mentioned of 79-14-1, Quality Control of 2-Hydroxyacetic acid.

The dopamine D-2 receptor is involved in the etiology of a number of disorders, such as Parkinson’s disease, Huntington’s Chorea, tardive dyskinesia and schizophrenia. Antagonism of D-2 receptors is implicated in the treatment of various psychiatric disorders. In order to understand essential structural features required for D-2 antagonism, this research article elaborates on the generation of a four-point 3D pharmacophore model which was extracted from a series of 45 novel 3-[[(aryloxy)alkyl]piperidinyl]-1,2-benzisoxazole derivatives. The best pharmacophore model generated consisted of four PRRR features: a positively charged group (P), and three aromatic rings (R). Based on the model generated, a statistically valid 3D-QSAR with good predictability (Q(2) = 0.756) was derived. For the validation of the pharmacophore hypothesis, active compounds were docked against the 3D structure of the D-2 receptor which was constructed through homology modeling. Further, the derived pharmacophore was used as a query to search the Zinc ‘clean drug-like’ database. Hits retrieved were passed progressively through filters, such as fitness score, predicted activity and docking scores. The resulting hits present new scaffolds with a strong potential for D-2 antagonist.

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Reference:
Benzisoxazole – Wikipedia,
,Benzisoxazole – an overview | ScienceDirect Topics

Research speed reading in 2021. Chemistry is traditionally divided into organic and inorganic chemistry. The former is the study of compounds containing at least one carbon-hydrogen bonds. 18996-35-5, Name is Sodium 3,4-dicarboxy-3-hydroxybutanoate, SMILES is OC(C(O)=O)(CC([O-])=O)CC(O)=O.[Na+], in an article , author is Uto, Yoshikazu, once mentioned of 18996-35-5, Name: Sodium 3,4-dicarboxy-3-hydroxybutanoate.

A small series of benzisoxazole analogs that effectively activate glycogen synthase (GS) was prepared in WO2011057956. These novel GS activators are claimed to be beneficial for the treatment or prophylaxis of metabolic disease and disorders. The 1,2-benzisoxazole-3-ol moiety is utilized in the present patent as a bioisoster of benzoic acid, which has often been employed in prior examples of the GS activators.

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Reference:
Benzisoxazole – Wikipedia,
,Benzisoxazole – an overview | ScienceDirect Topics

Chemistry, like all the natural sciences, begins with the direct observation of nature— in this case, of matter. 3721-95-7, Name is Cyclobutanecarboxylic acid, SMILES is O=C(C1CCC1)O, in an article , author is Kurth, MJ, once mentioned of 3721-95-7, Product Details of 3721-95-7.

Claims, by two groups, to have prepared 2,1-benzisoxazole derivatives are corrected to show that the products are indazalones (5). In addition, a simple preparation of 3-oxy-substituted 2H-indazole, by an unrecognized method in the literature, is reported.

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Reference:
Benzisoxazole – Wikipedia,
,Benzisoxazole – an overview | ScienceDirect Topics

Chemistry, like all the natural sciences, begins with the direct observation of nature— in this case, of matter. 99-06-9, Name is 3-Hydroxybenzoic acid, SMILES is O=C(O)C1=CC=CC(O)=C1, in an article , author is Kitamura, S, once mentioned of 99-06-9, Quality Control of 3-Hydroxybenzoic acid.

Zonisamide (1,2-benzisoxazole-3-methanesulphonamide), a new anticonvulsant, is mainly metabolized to 2-sulphamoylacetylphenol by reduction of the benzisoxazole ring. Recent studies have shown that mammalian liver enzymes are responsible for the reduction of zonisamide. Because intestinal bacteria can also mediate the reduction of xenobiotics, this study was designed to evaluate the role of intestinal bacteria in in-vivo reductive metabolism of zonisamide. Treatment of rats with antibiotics significantly reduced the urinary and faecal excretion of 2-sulphamoylacetylphenol after oral administration of zonisamide. Re-contamination of the antibiotic-treated rats with microflora restored the excretion of the metabolite. The caecal contents of the control rats had significant zonisamide reductase activity, whereas little or no zonisamide reductase activity was observed with the caecal contents of the antibiotic-treated rats. Eight pure strains of intestinal bacteria were tested for zonisamide reductase activity and the highest was observed in Clostridium sporogenes. We concluded that intestinal bacteria play a major role in the reductive metabolism of zonisamide to 2-sulphamoylacetylphenol in-vivo.

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Reference:
Benzisoxazole – Wikipedia,
,Benzisoxazole – an overview | ScienceDirect Topics

Research speed reading in 2021. In heterogeneous catalysis, catalysts provide a surface to which reactants bind in a process of adsorption. In homogeneous catalysis, catalysts are in the same phase as the reactants. 133-37-9, Name is (2R,3R)-rel-2,3-Dihydroxysuccinic acid, formurla is C4H6O6. In a document, author is Lalut, Julien, introducing its new discovery. COA of Formula: https://www.ambeed.com/products/133-37-9.html.

A rigidification strategy was applied to the preclinical candidate donecopride, an acetylcholinesterase inhibitor possessing 5-HT4R agonist activity. Inspired by promising bioactive benzisoxazole compounds, we have conducted a pharmacomodulation study to generate a novel series of multitarget directed ligands. The chemical synthesis of the ligand was optimized and compounds were evaluated in vitro against each target and in cellulo. Structure-activity relationship was supported by docking analysis in human acetylcholinesterase binding site. Among the synthesized compounds, we have identified a novel hybrid 32a (3-[2-[1-(cyclohexylmethyl)-4-piperidyl]ethyl]-4-methoxy-1,2-benzoxazole) able to display nanomolar acetylcholinesterase inhibitory effects and nanomolar Ki for 5-HT4R.

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Reference:
Benzisoxazole – Wikipedia,
,Benzisoxazole – an overview | ScienceDirect Topics

Chemistry, like all the natural sciences, begins with the direct observation of nature— in this case, of matter. 298-12-4, Name is 2-Oxoacetic acid, SMILES is OC(=O)C=O, in an article , author is Srivastava, S, once mentioned of 298-12-4, Quality Control of 2-Oxoacetic acid.

Photolysis of 3-hydroxy-2,3-dihydro-2,1-benzisoxazole derivatives gives 2-acetylaniline derivatives as the sole stable products. EPR spectroscopy shows that persistent arylnitroxyl radicals are formed as intermediates and then further photolyzed. A mechanism accounting for these observations is proposed. (C) 1996 Elsevier Science Ltd

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Reference:
Benzisoxazole – Wikipedia,
,Benzisoxazole – an overview | ScienceDirect Topics

New research progress on 18996-35-5 in 2021. Catalysts allow a reaction to proceed via a pathway that has a lower activation energy than the uncatalyzed reaction. 18996-35-5, Name is Sodium 3,4-dicarboxy-3-hydroxybutanoate, SMILES is OC(C(O)=O)(CC([O-])=O)CC(O)=O.[Na+], in an article , author is Arcadi, A., once mentioned of 18996-35-5, COA of Formula: https://www.ambeed.com/products/18996-35-5.html.

Unprecedented domino oxidative cyclization reactions of unprotected 2-alkynylanilines to give functionalized 4H-benzo[d][1,3]oxazin-4-one or benzisoxazole derivatives in moderate to good yields are achieved by silver vs. gold selective catalysis. The search for the optimal reaction conditions revealed the divergent catalytic activity of NaAuCl4 center dot H2O and AgNO3.

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Reference:
Benzisoxazole – Wikipedia,
,Benzisoxazole – an overview | ScienceDirect Topics