Journal of Molecular Modeling | Cas: 55981-09-4 was involved in experiment

2-((5-Nitrothiazol-2-yl)carbamoyl)phenyl acetate(cas: 55981-09-4) has been approved as an orphan drug for the treatment of diarrhea in children (age, 1–11 years) and is associated with giardiasis, but it also is approved for diarrhea caused by crytosporidiosis in patients with AIDS.SDS of cas: 55981-09-4

SDS of cas: 55981-09-4In 2021, Omolabi, Kehinde F.;Iwuchukwu, Emmanuel A.;Agoni, Clement;Olotu, Fisayo A.;Soliman, Mahmoud E. S. published 《A probable means to an end: exploring P131 pharmacophoric scaffold to identify potential inhibitors of Cryptosporidium parvum inosine monophosphate dehydrogenase》. 《Journal of Molecular Modeling》published the findings. The article contains the following contents:

Compound P131 has been established to inhibit Cryptosporidium parvum′s inosine monophosphate dehydrogenase (CpIMPDH). Its inhibitory activity supersedes that of paromomycin, which is extensively used in treating cryptosporidiosis. Through the per-residue energy decomposition approach, crucial moieties of P131 were identified and subsequently adopted to create a pharmacophore model for virtual screening in the ZINC database. This search generated eight ADMET-compliant hits that were examined thoroughly to fit into the active site of CpIMPDH via mol. docking. Three compounds ZINC46542062, ZINC58646829, and ZINC89780094, with favorable docking scores of – 8.3 kcal/mol, – 8.2 kcal/mol, and – 7.5 kcal/mol, were selected. The potential inhibitory mechanism of these compounds was probed using mol. dynamics simulation and Mol. Mechanics Generalized Poisson Boltzmann Surface Area (MM/PBSA) analyses. Results revealed that one of the hits (ZINC46542062) exhibited a lower binding free energy of – 39.52 kcal/mol than P131, which had – 34.6 kcal/mol. Conformational perturbation induced by the binding of the identified hits to CpIMPDH was similar to P131, suggesting a similarity in inhibitory mechanisms. Also, in silico investigation of the properties of the hit compounds implied superior physicochem. properties with regards to their synthetic accessibility, lipophilicity, and number of hydrogen bond donors and acceptors in comparison with P131. ZINC46542062 was identified as a promising hit compound with the highest binding affinity to the target protein and favorable physicochem. and pharmacokinetic properties relative to P131. The identified compounds can serve as a basis for conducting further exptl. investigations toward the development of anticryptosporidials, which can overcome the challenges of existing therapeutic options. Graphical abstractP131 and the identified compounds docked in the NAD+ binding site of Cryptosporidium parvum IMPDH . And 2-((5-Nitrothiazol-2-yl)carbamoyl)phenyl acetate (cas: 55981-09-4) was used in the research process.

2-((5-Nitrothiazol-2-yl)carbamoyl)phenyl acetate(cas: 55981-09-4) has been approved as an orphan drug for the treatment of diarrhea in children (age, 1–11 years) and is associated with giardiasis, but it also is approved for diarrhea caused by crytosporidiosis in patients with AIDS.SDS of cas: 55981-09-4

Reference:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica

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Application of 55981-09-4, Because enzymes can increase reaction rates by enormous factors and tend to be very specific, typically producing only a single product in quantitative yield, they are the focus of active research.you can also check out more blogs about 55981-09-4.

Application of 55981-09-4, Children learn through play, and they learn more than adults might expect. Science experiments are a great way to spark their curiosity, 55981-09-4, Name is 2-((5-Nitrothiazol-2-yl)carbamoyl)phenyl acetate, SMILES is CC(OC1=CC=CC=C1C(NC2=NC=C([N+]([O-])=O)S2)=O)=O, belongs to thiazoles compound. In a article, author is Ghafil, Rajaa Abdul Ameer, introduce new discover of the category.

Synthesis of Triazole Derivatives via Multi Components Reaction and Studying of (Organic Characterization, Chromatographic Behavior, Chem-Physical Properties)

In this paper, the novel component were synthesized in good yield via multi reactions like (Aldole reaction, azotation-coupling reaction, condensation reaction, substitution reaction, cyclization reaction) by using types of conditions and multi components reactions to formation imidazole, Thiazole, oxazole) derivatives with bis-triazole cycles,imidazole and thiazole The formatted triazole compounds have been characterized through spectral and chemical techniques like (H-1 NMR, IR, some of them C.NMR), studying of Chromatography studying and physical properties for all Compounds.

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Reference:
Thiazole | C3H3NS – PubChem,
,Thiazole | chemical compound | Britannica

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A reaction mechanism is the microscopic path by which reactants are transformed into products. Each step is an elementary reaction. In my other articles, you can also check out more blogs about 55981-09-4. Product Details of 55981-09-4.

Chemistry is the science of change. But why do chemical reactions take place? Why do chemicals react with each other? The answer is in thermodynamics and kinetics, Product Details of 55981-09-4, 55981-09-4, Name is 2-((5-Nitrothiazol-2-yl)carbamoyl)phenyl acetate, SMILES is CC(OC1=CC=CC=C1C(NC2=NC=C([N+]([O-])=O)S2)=O)=O, belongs to thiazoles compound. In a document, author is Rajan, Remya, introduce the new discover.

Synthesis of GluN2A-selective NMDA receptor antagonists with an electron-rich aromatic B-ring

Glutamatergic N-Methyl-D-aspartate (NMDA) receptors are heterotetrameric ion channels that can be comprised of different subunits. GluN2A subunit-containing NMDA receptors are associated with diseases like anxiety, depression, and schizophrenia. However, the exact contribution of these NMDA receptor subtypes is still unclear. To understand better the role of the GluN2A-containing receptors, novel ligands were designed. In co-crystallization with the isolated binding site, TCN-201 (1) and analogs adopt a U-shape conformation with parallel orientation of rings A and B. In order to increase the pi/pi-interactions between these rings, ring B of TCN-201 was replaced bioisosterically by different electron-rich thiazole, oxazole, and isoxazole heterocycles. The inhibitory activity was measured by two-electrode voltage clamp experiments with Xenopus laevis oocytes expressing GluN2A-containing NMDA receptors. It was found that 21c, 31a, 37a, and 37b were able to inhibit the ion channel. The isoxazole derivative 37b was the most potent negative allosteric modulator displaying 40% of the TCN-201 activity at a concentration of 10 mu M. (c) 2020 Elsevier Masson SAS. All rights reserved.

A reaction mechanism is the microscopic path by which reactants are transformed into products. Each step is an elementary reaction. In my other articles, you can also check out more blogs about 55981-09-4. Product Details of 55981-09-4.

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Thiazole | C3H3NS – PubChem,
,Thiazole | chemical compound | Britannica

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Chemistry is the experimental and theoretical study of materials on their properties at both the macroscopic and microscopic levels. 55981-09-4, Name is 2-((5-Nitrothiazol-2-yl)carbamoyl)phenyl acetate, molecular formula is C12H9N3O5S. In an article, author is Liang, Fei-Fei,once mentioned of 55981-09-4, Product Details of 55981-09-4.

Convergent Domino Cyclization: Oxidative [3+1+1] Annulation for One-Pot Synthesis of 2-Quinoline-4,5-diaryl-oxazoles from Methyl Azaarenes, Benzoins and NH4OAc

An oxidative [3+1+1] convergent domino cyclization is disclosed. This protocol enables to get quinoline, quinoxaline, quinazolin-4(3H)-one and benzo[d]thiazole attached 2,4,5-trisubstituted oxazoles from methyl azaarenes, benzoins, and NH4OAc in the presence of iodine and molecular sieves without any metal catalyst. The reaction features wide substrate scope, good functional group tolerance, mild reaction conditions, and easily available substrates.

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Thiazole | C3H3NS – PubChem,
,Thiazole | chemical compound | Britannica

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We¡¯ll also look at important developments in the pharmaceutical industry because understanding organic chemistry is important in understanding health, medicine, 55981-09-4. The above is the message from the blog manager. Name: 2-((5-Nitrothiazol-2-yl)carbamoyl)phenyl acetate.

Chemistry is traditionally divided into organic and inorganic chemistry. The former is the study of compounds containing at least one carbon-hydrogen bonds. 55981-09-4, Name is 2-((5-Nitrothiazol-2-yl)carbamoyl)phenyl acetate, molecular formula is C12H9N3O5S, belongs to thiazoles compound, is a common compound. In a patnet, author is Khan, Farhan M., once mentioned the new application about 55981-09-4, Name: 2-((5-Nitrothiazol-2-yl)carbamoyl)phenyl acetate.

Convergent synthesis of carbonic anhydrase inhibiting bi-heterocyclic benzamides: Structure-activity relationship and mechanistic explorations through enzyme inhibition, kinetics, and computational studies

By using a convergent methodology, a novel series of N-arylated 4-yl-benzamides containing a bi-heterocyclic thiazole-triazole core was synthesized, and the structures of these hybrid molecules, 9a-k, were corroborated through spectral analyses. The in vitro studies of these multifunctional molecules demonstrated their potent carbonic anhydrase inhibition relative to the standard used. The kinetics mechanism was exposed by Lineweaver-Burk plots, which revealed that 9j inhibited carbonic anhydrase non-competitively by forming an enzyme-inhibitor complex. The inhibition constants K-i calculated from Dixon plots for this compound was 1.2 mu M. The computational study was also persuasive with the experimental results, and these molecules disclosed good results of all scoring functions and interactions, which suggested a good binding to carbonic anhydrase. So, it was predicted from the inferred results that these molecules might be considered as promising medicinal scaffolds for various diseases related to the uncontrolled production of this enzyme.

We¡¯ll also look at important developments in the pharmaceutical industry because understanding organic chemistry is important in understanding health, medicine, 55981-09-4. The above is the message from the blog manager. Name: 2-((5-Nitrothiazol-2-yl)carbamoyl)phenyl acetate.

Reference:
Thiazole | C3H3NS – PubChem,
,Thiazole | chemical compound | Britannica

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Fluorinated hydrazonoyl chlorides as precursors for synthesis of antimicrobial azoles

Hydrazonoyl halides have been known for their ability to react with different reagents to afford wide range of bioactive heterocyclic systems as thiazoles and imidazopyrazoles. This research work focused on the synthesis of two new fluorinated hydrazonoyl chlorides and used them in synthesis of novel series of thiazole derivatives and two imidazopyrazole systems. The mechanistic pathways and the structures of all synthesized derivatives were discussed and assured based on the available spectral data. The results of antimicrobial activity of the tested thiazoles and imidazopyrazoles showed that some derivatives have moderate to no activity against tested fungi and bacteria strains. Only one derivative namely 2-(2-(3-fluoro-4-methylphenyl)hydrazono)-7-(2-oxoindolin-3-ylidene)-2,7-dihydro-3H-imidazo[1,2-b]pyrazole-3,6(5H)-dione is the most active against Candida albicans (CA) with IZD = 20 mm, which was equipotent to ketoconazole. Furthermore, docking simulation was carried out to predict the binding pattern of the new compounds in the ATP binding site of the DNA gyrase B enzyme. The results of the docking simulation revealed that compounds 9a-e, 12, and 13a,b fit well in the ATP binding site of DNA gyrase B with docking score values ranging from -5.883 to -6.833 kcal/mol.

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Thiazole | C3H3NS – PubChem,
,Thiazole | chemical compound | Britannica

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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 Bondock, Samir, once mentioned the application of 55981-09-4, Name is 2-((5-Nitrothiazol-2-yl)carbamoyl)phenyl acetate, molecular formula is C12H9N3O5S, molecular weight is 307.282, MDL number is MFCD00416599, category is thiazoles. Now introduce a scientific discovery about this category, COA of Formula: C12H9N3O5S.

Advances in the synthesis and chemical transformations of 5-acetyl-1,3,4-thiadiazolines

5-Acetyl-1,3,4-thiadiazolines are a versatile class of heterocycles which find wide application in medicinal and materials chemistry. The objective of this review is to describe the different strategies developed so far for the synthesis of 5-acetyl-1,3,4-thiadiazolines and their analogues as well as to highlight their reactivity in the synthesis of chemically relevant bioactive heterocyclic compounds. The first part of this review describes the diverse synthetic approaches to synthesize 5-acetyl-1,3,4-thiadiazolines based on the [4 pi + 2 pi] cycloaddition reaction of C-acetyl nitrile imines with reagents having sulfur diploarphiles. The synthetic methods have been organized on the basis of the type of sulfur reagent employed in the syntheses. In the second part, an overview of the transformations of 5-acetyl-1,3,4-thiazolines into heterocyclic compounds such as pyrazoles, thiazoles, 1,3,4-thiadiazoles, imidazoles, pyridines, and pyrimidines as well as other relevant condensed derivatives, is presented.

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Thiazole | C3H3NS – PubChem,
,Thiazole | chemical compound | Britannica

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We¡¯ll also look at important developments in the pharmaceutical industry because understanding organic chemistry is important in understanding health, medicine, 55981-09-4. The above is the message from the blog manager. Category: thiazoles.

Chemistry is traditionally divided into organic and inorganic chemistry. The former is the study of compounds containing at least one carbon-hydrogen bonds. 55981-09-4, Name is 2-((5-Nitrothiazol-2-yl)carbamoyl)phenyl acetate, molecular formula is C12H9N3O5S, belongs to thiazoles compound, is a common compound. In a patnet, author is Mekky, Ahmed E. M., once mentioned the new application about 55981-09-4, Category: thiazoles.

Synthesis and antibacterial evaluation of novel mono- and bis(2H-chromen-2-imine) hybrids linked to heteroarene units

Novel mono- and bis(2H-chromen-2-imine) hybrids linked to different heteroarene units were prepared by cyclo-condensation of 2-hydroxybenzaldehydes with 2-heteroarylacetonitriles. Their in vitro antibacterial activities against different strains of Gram-positive and negative bacteria were assessed. Piperazine-linked bis(3-heteroaryl-2H-chromen-2-imines) exhibited the best antibacterial efficacies against E. coli, S. aureus and S. mutans strains with MIC values of 1.4-20.8 mu m.

We¡¯ll also look at important developments in the pharmaceutical industry because understanding organic chemistry is important in understanding health, medicine, 55981-09-4. The above is the message from the blog manager. Category: thiazoles.

Reference:
Thiazole | C3H3NS – PubChem,
,Thiazole | chemical compound | Britannica

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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 55981-09-4. Product Details of 55981-09-4.

Children learn through play, and they learn more than adults might expect. Science experiments are a great way to spark their curiosity, Product Details of 55981-09-455981-09-4, Name is 2-((5-Nitrothiazol-2-yl)carbamoyl)phenyl acetate, SMILES is CC(OC1=CC=CC=C1C(NC2=NC=C([N+]([O-])=O)S2)=O)=O, belongs to thiazoles compound. In a article, author is Hui, Yonghai, introduce new discover of the category.

Facile synthesis of spiro thiazolidinone via cyclic ketones, amines and thioglycolic acid by MCM-41-Schiff base-CuSO4 center dot 5H(2)O

Mesoporous MCM-41-supported Schiff base and CuSO(4)Greek ano teleia5H(2)O (MCM-41@Schiff base-CuSO(4)Greek ano teleia5H(2)O) catalyzed one-pot three-component condensation of cyclic ketones, amines and thioglycolic acid in toluene. And a series of corresponding spiro thiazolidinone derivatives were obtained in high yields (up to 97%). The synthesized catalyst was characterized via FT-IR, XRD, SEM, TEM and EDS and can be easily recovered by centrifugation and reused at 10 times without any change in catalytic activity. Moreover, the scale-up experiment also demonstrated the practicability of the catalytic system on the condensation. The possible mechanisms pave the way to investigation on the reactions of other cyclic ketones with thioglycolic acid.

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Thiazole | C3H3NS – PubChem,
,Thiazole | chemical compound | Britannica

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Cyanine Dyes Containing Quinoline Moieties: History, Synthesis, Optical Properties, and Applications

Cyanine dyes carrying quinoline moieties are an important class of organic molecules that are of great interest for applications in many fields like medicine, pharmacology, and engineering. Despite their exceptional properties, such as stability, high molar extinction coefficients, and high pH-sensitivity, this class of dyes has been less analyzed and reviewed in the last few decades. Therefore, this review article focuses on discussing the history of quinoline compounds, various synthetic routes to prepare quinolinium salts and symmetrical and asymmetrical mono-, di-, tri-, penta- and heptamethine cyanine dyes, containing quinoline moieties, together with their optical properties and applications as photosensitizers in photodynamic therapy, probes in biomolecules for labeling of nucleic acids, as well as imaging agents.

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Thiazole | C3H3NS – PubChem,
,Thiazole | chemical compound | Britannica