Day: May 11, 2021

Chemo-enzymatic cascade processes are invaluable due to their ability to rapidly construct high-value products from available feedstock chemicals in a one-pot relay manner. 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, Category: Benzisoxazole.

S-16924, a novel, potential antipsychotic with marked serotonin(1A) agonist properties. IV. A drug discrimination comparison with clozapine

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.

Do you like my blog? If you like, you can also browse other articles about this kind. Thanks for taking the time to read the blog about 99189-60-3, Category: Benzisoxazole.

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

Chemistry, like all the natural sciences, Category: Benzisoxazole, begins with the direct observation of nature— in this case, of matter.99189-60-3, Name is 2-[1-(2-Amino-2-oxoethyl)cyclohexyl]acetic Acid, SMILES is O=C(O)CC1(CC(N)=O)CCCCC1, belongs to benzisoxazole compound. In a document, author is Orlov, V. Yu., introduce the new discover.

Mechanism of formation of 2,1-benzisoxazoles in reactions of nitroarenes with arylacetonitriles

Main regularities in reactions of arylacetonitriles with nitroarenes were discussed. The reaction mechanism has been suggested proceeding from the experimental data and the quantum chemical modeling of the limiting stage, the formation of the 2,1-benzisoxazole ring.

Note that a catalyst decreases the activation energy for both the forward and the reverse reactions and hence accelerates both the forward and the reverse reactions. you can also check out more blogs about 99189-60-3. Category: Benzisoxazole.

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

Enzymes are biological catalysts that produce large increases in reaction rates and tend to be specific for certain reactants and products. 52356-01-1, Name is 2-Hydrazinobenzoic acid hydrochloride, molecular formula is C7H9ClN2O2, belongs to benzisoxazole compound. In a document, author is Anjum, S, introduce the new discover, Computed Properties of https://www.ambeed.com/products/52356-01-1.html.

Synthesis of an antibacterial and antifungal cinnoline derivative by rearrangement of a beta-carboline derivative

A heterocyclic system (6) containing a beta-carboline moiety is described. o-Nitrophenylpyruvic acid and tryptamine hydrochloride were condensed to give 1-(2′-nitrobenzyl)-1,2,3,4-tetrahydro-beta-carboline (3). 3, on dehydrogenation, gave 1-(2′-nitrobenzyl)-beta-carboline (4) which was treated with methanolic KOH to furnish 1-(3′,2′,1′-benzisoxazole)-beta-carboline (5) which on thermolysis or photolysis afforded the indolocinnoline derivative (6).

Balanced chemical reaction does not necessarily reveal either the individual elementary reactions by which a reaction occurs or its rate law. In my other articles, you can also check out more blogs about 52356-01-1. Computed Properties of https://www.ambeed.com/products/52356-01-1.html.

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

Reference of 546-89-4, As an important bridge between the micro and macro material world, chemistry is one of the main methods and means for humans to understand and transform the material world. 546-89-4, Name is Lithiumacetate, SMILES is CC([O-])=O.[Li+], belongs to benzisoxazole compound. In a article, author is Dash, Radha Charan, introduce new discover of the category.

Scaffold hopping for identification of novel D-2 antagonist based on 3D pharmacophore modelling of illoperidone analogs

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.

Reference of 546-89-4, 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.I hope my blog about 546-89-4 is helpful to your research.

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

Reactions catalyzed within inorganic and organic materials and at electrochemical interfaces commonly occur at high coverage and in condensed media, causing turnover rates to depend strongly on interfacial structure and composition, 503-66-2, Name is 3-Hydroxypropionic Acid (contains varying amounts of 3,3-Oxydipropionic Acid), SMILES is O=C(O)CCO, in an article , author is Rodrigues Belotto, Karisa Cristina, once mentioned of 503-66-2, HPLC of Formula: https://www.ambeed.com/products/503-66-2.html.

Relative Bioavailability of Two Oral Formulations of Risperidone 2 mg: A Single-Dose, Randomized-Sequence, Open-Label, Two-Period Crossover Comparison in Healthy Brazilian Volunteers

Background: Risperidone (RSP) is a benzisoxazole antipsychotic agent used to treat schizophrenia and other psychiatric illnesses in adults and children (including those with autism). After oral administration, RSP is completely absorbed from the gastrointestinal tract and undergoes hydroxylation to yield 9-hydroxyrisperidone (9-OH-RSP), an active metabolite that has a pharmacologic profile and potency similar to RSP. Objectives: The aims of this study were to compare the relative bioavailability of a pharmaceutical-equivalent (test) formulation with a reference formulation of oral RSP 2 mg, both available commercially on the Brazilian pharmaceutical market, and to generate data regarding the oral bioavailability of the tested drug in healthy Brazilian volunteers. Methods: This single-dose, randomized-sequence, open-label, 2-period crossover study was conducted in healthy Brazilian volunteers from August to December 2008. Subjects were randomly assigned to receive the test formulation followed by the reference formulation or vice versa, with a 30-day washout period between doses. Study drugs were administered after a 12-hour overnight fast. For pharmacokinetic analysis, blood samples were drawn at 0 (baseline), 0.25, 0.5, 1, 1.5, 3, 5, 8, 12, 24, 48, 72, 96, and 120 hours after administration. Plasma concentrations of RSP and 9-OH-RSP were determined using LC-MS/MS. The test and reference formulations were to be considered bioequivalent if the 90% CIs for the geometric mean test/reference ratios were within a predetermined range of 80% to 125%, in accordance with the policies of the Brazilian Sanitary Surveillance Agency and the US Food and Drug Administration. Tolerability was determined using clinical assessments, monitoring of vital signs, analysis of laboratory test results, and subject interviews regarding adverse events. Results: A total of 22 subjects were enrolled (11 men, 11 women; mean [SD] age, 32 [12] years [range, 18-58 years]; weight, 70.4 [11.9] kg [range, 50-103 kg]; height, 1.67 [0.08] m [range, 1.56-1.80 m]; and body mass index, 25 [4] kg/m(2) [range, 18-29 kg/m(2)]). For RSP, mean (SD) C-max values were 12.6 (2.7) and 16.0 (2.3) ng/mL for the test and reference formulations, respectively. For 9-OH-RSP, mean C-max values were 17.8 (1.3) and 21.0 (1.7) ng/mL for the test and reference formulations. The 90% CIs for the mean test/reference ratios for RSP C-max, AUC(0-120), and AUC(0-infinity) were 74% to 82%, 75% to 85%, and 76% to 85%, respectively, and 83% to 87%, 75% to 79%, and 75% to 78% for 9-OH-RSP. The related adverse events (headache, low back pain, drowsiness, standing hypotension, local postvenipuncture ecchymoses, insomnia, nausea, and vomiting) were transient and mild. Conclusions: This single-dose study found that the test and reference formulations of oral RSP 2 mg did not meet the Brazilian and US regulatory criteria for bioequivalence in these fasting, healthy volunteers. The study formulations appeared to be well tolerated. (Clin Ther 2010;32:2106-2115) (C) 2010 Elsevier HS Journals, Inc.

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

Chemistry can be defined as the study of matter and the changes it undergoes. You’ll sometimes hear it called the central science because it is the connection between physics and all the other sciences, starting with biology. 701-97-3, Name is 3-Cyclohexylpropionic Acid, molecular formula is , belongs to benzisoxazole compound. In a document, author is Leppik, IE, Name: 3-Cyclohexylpropionic Acid.

Zonisamide: chemistry, mechanism of action, and pharmacokinetics

Zonisamide is a synthetic 1,2-benzisoxazole-3-methanesulfonamide with anticonvulsant properties. The sulfamoyl group on zonisamide was expected to suppress seizures in a manner similar to another sulfonamide analogue, acetazolamide, through inhibition of carbonic anhydrase. However, this does not appear to be the primary mechanism of action since zonisamide requires much higher doses than acetazolamide to achieve equivalent titration in vivo. Studies with cultured neurons indicate that zonisamide blocks repetitive firing of voltage-sensitive sodium channels and reduces voltage- sensitive T-type calcium currents without affecting L-type calcium currents. Its dual mechanism of action may explain its efficacy in patients resistant to other antiepileptic drugs (AEDs). Zonisamide has a pharmacokinetic profile favorable for clinical use. It is rapidly and completely absorbed and has a Long half-life (63-69h in healthy volunteers) which allows twice-daily, or even once-daily, dosing. Zonisamide is not highly bound to plasma proteins. Consequently, it does not affect protein binding of other highly protein-bound AEDs. Furthermore, zonisamide does not induce its own metabolism and does not induce liver enzymes. However, since zonisamide is metabolized by cytochrome P450, liver enzyme-inducing AEDs will increase zonisamide clearance, and dosage adjustments may be necessary when it is used in combination with certain AEDs. (C) 2004 BEA Trading Ltd. Published by Elsevier Ltd. All rights reserved.

Sometimes chemists are able to propose two or more mechanisms that are consistent with the available data. If a proposed mechanism predicts the wrong experimental rate law, however, the mechanism must be incorrect.Welcome to check out more blogs about 701-97-3, in my other articles. Name: 3-Cyclohexylpropionic Acid.

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

Chemistry is the experimental and theoretical study of materials on their properties at both the macroscopic and microscopic levels. 868-14-4, Name is Potassium hydrogen tartrate, molecular formula is C4H5KO6. In an article, author is VANBEIJSTERVELDT, LEC,once mentioned of 868-14-4, Computed Properties of https://www.ambeed.com/products/868-14-4.html.

REGIONAL BRAIN DISTRIBUTION OF RISPERIDONE AND ITS ACTIVE METABOLITE 9-HYDROXY-RISPERIDONE IN THE RAT

Risperidone is a new benzisoxazole antipsychotic. 9-Hydroxy-risperidone is the major plasma metabolite of risperidone. The pharmacological properties of 9-hydroxy-risperidone were studied and appeared to be comparable to those of risperidone itself, both in respect of the profile of interactions with various neurotransmitters and its potency, activity, and onset and duration of action. The absorption, plasma levels and regional brain distribution of risperidone, metabolically formed 9-hydroxy-risperidone and total radioactivity were studied in the male Wistar rat after single subcutaneous administration of radiolabelled risperidone at 0.02 mg/kg. Concentrations were determined by HPLC separation, and off-line determination of the radioactivity with liquid scintillation counting. Risperidone was well absorbed. Maximum plasma concentrations were reached at 0.5-1 h after subcutaneous administration. Plasma concentrations of 9-hydroxy-risperidone were higher than those of risperidone from 2 h after dosing. In plasma, the apparent elimination half-life of risperidone was 1.0 h, and mean residence times were 1.5 h for risperidone and 2.5 h for its 9-hydroxy metabolite. Plasma levels of the radioactivity increased dose proportionally between 0.02 and 1.3 mg/kg. Risperidone was rapidly distributed to brain tissues. The elimination of the radioactivity from the frontal cortex and striatum-brain regions with high concentrations of 5-HT2 or dopamine-D-2 receptors-became more gradual with decreasing dose levels. After a subcutaneous dose of 0.02 mg/kg, the ED(50) for central 5-HT2 antagonism in male rats, half-lives in frontal cortex and striatum were 3-4 h for risperidone, whereas mean residence times were 4-6 h for risperidone and about 12 h for 9-hydroxy-risperidone. These half-lives and mean residence times were 3-5 times longer than in plasma and in cerebellum, a region with very low concentrations of 5-HT2 and D-2 receptors. Frontal cortex and striatum to plasma concentration ratios increased during the experiment. The distribution of 9-hydroxy-risperidone to the different brain regions, including frontal cortex and striatum, was more limited than that of risperidone itself. This indicated that 9-hydroxy-risperidone contributes to the in vivo activity of risperidone, but to a smaller extent than would be predicted from plasma levels. AUCs of both active compounds in frontal cortex and striatum were 10-18 times higher than those in cerebellum. No retention of metabolites other than 9-hydroxy-risperidone was observed in any of the brain regions investigated.

If you are hungry for even more, make sure to check my other article about 868-14-4, Computed Properties of https://www.ambeed.com/products/868-14-4.html.

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

Catalysts are substances that increase the reaction rate of a chemical reaction without being consumed in the process. 719-64-2, Name is 5-Chloro-3-phenylbenzo[c]isoxazole, SMILES is ClC1=CC2=C(C3=CC=CC=C3)ON=C2C=C1, belongs to benzisoxazole compound. In a document, author is Wang, Kaifeng, introduce the new discover, Category: Benzisoxazole.

Theoretical Insights into Ester-Directed Reactions between Propiolates with 1,2-Benzisoxazoles by Au(I) Catalyst: [4+2]-Annulation versus Michael-Type Products

Au(I)-catalyzed selective reactions of Et- and Bu-t-substituted propiolates (1a and 1a’) with 1,2-benzisoxazole(2a) provide a new strategy for purposefully access to desired bioactive heterocycles. Using DFT calculations, we have systematically investigated the detailed mechanisms and origins of the ester-controlled chemoselectivity. The calculated results indicated that both reactions are initiated by LAu+ pi-coordination, N nucleophilic attack, and NTf2–assisted stepwise H-shift, generating a nitrilium species identified as a common and requisite intermediate, which is significantly different from the experimentally proposed 6-alkoxy-1,3-oxazin-1-ium intermediate. Starting from the nitrilium intermediate, the newly established nucleophilic cyclization, alkene release, and NTf2–assisted stepwise protodeauration provides [4 + 2]-annulation product P-1, while the nitrilum dissociation, O nucleophilic attack, and NTf2–assisted stepwise protodeauration generates Michael-type product P-2. Further explorations showed that Bu-t-controlled chemoselectivity of P-1 over P-2 can be attributed to the energy favorable aromaticity of selective-determining nucleophilic cyclization TS. With substitution of Bu-t by Et group, the reversal of chemoselectivity to P-2 formation might be closely related to the presence of extremely unstable Et cation in ethylene release TS leading to P-1.

The proportionality constant is the rate constant for the particular unimolecular reaction. the reaction rate is directly proportional to the concentration of the reactant. I hope my blog about 719-64-2 is helpful to your research. Category: Benzisoxazole.

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

Reactions catalyzed within inorganic and organic materials and at electrochemical interfaces commonly occur at high coverage and in condensed media, causing turnover rates to depend strongly on interfacial structure and composition, 25383-99-7, Name is Sodium 2-((2-(stearoyloxy)propanoyl)oxy)propanoate, SMILES is O=C(C(C)OC(CCCCCCCCCCCCCCCCC)=O)OC(C)C([O-])=O.[Na+], in an article , author is Jadhav, VK, once mentioned of 25383-99-7, Name: Sodium 2-((2-(stearoyloxy)propanoyl)oxy)propanoate.

Sodium perborate: A facile synthesis of 1,2-benzisoxazole 2-oxides

An efficient and convenient methodology has been developed for the conversion of 2-hydroxy phenyl ketoxime to 1,2-benzisoxazole 2-oxide with sodium perborate (SPB) in glacial acetic acid under mild reaction conditions. Interestingly when the reaction was carried out under reflux condition deoximation was observed in quantitative yield.

But sometimes, even after several years of basic chemistry education, it is not easy to form a clear picture on how they govern reactivity! 25383-99-7, you can contact me at any time and look forward to more communication. Name: Sodium 2-((2-(stearoyloxy)propanoyl)oxy)propanoate.

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

Reference of 35963-20-3, Catalysts allow a reaction to proceed via a pathway that has a lower activation energy than the uncatalyzed reaction. 35963-20-3, Name is ((1R,4S)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonic acid, SMILES is O=S(C[C@]1(C2(C)C)C(C[C@]2([H])CC1)=O)(O)=O, belongs to benzisoxazole compound. In a article, author is Wang, Kaifeng, introduce new discover of the category.

Theoretical Insights into Ester-Directed Reactions between Propiolates with 1,2-Benzisoxazoles by Au(I) Catalyst: [4+2]-Annulation versus Michael-Type Products

Au(I)-catalyzed selective reactions of Et- and Bu-t-substituted propiolates (1a and 1a’) with 1,2-benzisoxazole(2a) provide a new strategy for purposefully access to desired bioactive heterocycles. Using DFT calculations, we have systematically investigated the detailed mechanisms and origins of the ester-controlled chemoselectivity. The calculated results indicated that both reactions are initiated by LAu+ pi-coordination, N nucleophilic attack, and NTf2–assisted stepwise H-shift, generating a nitrilium species identified as a common and requisite intermediate, which is significantly different from the experimentally proposed 6-alkoxy-1,3-oxazin-1-ium intermediate. Starting from the nitrilium intermediate, the newly established nucleophilic cyclization, alkene release, and NTf2–assisted stepwise protodeauration provides [4 + 2]-annulation product P-1, while the nitrilum dissociation, O nucleophilic attack, and NTf2–assisted stepwise protodeauration generates Michael-type product P-2. Further explorations showed that Bu-t-controlled chemoselectivity of P-1 over P-2 can be attributed to the energy favorable aromaticity of selective-determining nucleophilic cyclization TS. With substitution of Bu-t by Et group, the reversal of chemoselectivity to P-2 formation might be closely related to the presence of extremely unstable Et cation in ethylene release TS leading to P-1.

Reference of 35963-20-3, Each elementary reaction can be described in terms of its molecularity, the number of molecules that collide in that step. The slowest step in a reaction mechanism is the rate-determining step.you can also check out more blogs about 35963-20-3.

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