Tag: M.W:200-300

383-29-9, Name is 4,4′-Sulfonylbis(fluorobenzene), molecular formula is C12H8F2O2S, belongs to isothiazole compound, is a common compound. In a patnet, author is Greenwood, JR, once mentioned the new application about 383-29-9, Product Details of 383-29-9.

Heterocycles as bioisosteres for the omega-carboxylate moiety of glutamate in AMPA receptor agonists: A review and theoretical study.

(S)-2-Amino-3-(3-hydroxy-5-methylisoxazol-4yl)propionic acid (AMPA) is the prototypical selective agonist for the AMPA subtype of excitatory amino acid (glutamate) receptors. Several 3-hydroxyisoxazole analogues are known to have activity at this receptor, as do a number of other alanine-substituted heterocyclic phenols, the acidic heterocycles being bioisosteres for the omega-carboxylate moiety of glutamate. The increasingly diverse range of known AMPA agonists is reviewed, including a number of novel pyridazine-based analogues. By removal of a common glycine unit, the parent heterocycles 3hydroxy-4,5-dimethyl-isoxazole, 3-hydroxy-4,5-dimethyl-isothiazole, 4-methyl-5-isoxazolone, 3-hydroxy-4-methyl-1,2,5-thiadiazole, 2-methyl-3,5-dioxo-1,2,4-oxadiazolidine, 1-methyl uracil, 6-aza-1-methyl uracil, and 3-hydroxy-4-methyl-pyridazine 1-oxide are modelled as representative of the known omega-carboxylate bioisosteres. In addition, heterocyclic fragments of inactive hydantoin and 3,5-dioxotriazole quisqualate analogues, and pyridazinone fragments with derivatives of varying potency are considered. These structures and their conjugate bases are subjected to high level ab initio calculations up to G2(MP2) theory, and semi-empirical aqueous phase calculations using the AM1-SM2 model. Their tautomerism and aqueous pK(a) behaviour are studied in detail, and compared with experimental data. Molecular geometries and electrostatic potential-derived charge distributions are presented. Electrostatic properties at the Van der Waals surface are compared. Calculated properties are discussed with respect to structural requirements for AMPA receptor activity. Tridentate models of AMPA receptor binding are presented.

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Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

 

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, Formula: C14H12O2, 4397-53-9, Name is 4-Benzyloxybenzaldehyde, SMILES is C2=C(OCC1=CC=CC=C1)C=CC(=C2)C=O, belongs to isothiazole compound. In a document, author is Luyten, I, introduce the new discover.

Synthesis of 2′-deoxy-5-(isothiazol-5-yl)uridine and its interaction with the HSV-1 thymidine kinase

2′-Deoxy-5-(isothiazol-5-yl)uridine (12) was synthesized starting from 2′-deoxy-5-iodouridine using a Pd-catalysed cross-coupling reaction with propiolaldehyde diethyl acetal followed by deprotection and ring closure using thiosulfate. 2′-Deoxyuridine 12 has a particular place among the 5-heteroaryl-substituted 2′-deoxyuridines in that it has a high affinity for herpes simplex virus type 1(HSV-1)-encoded thymidine kinase (TK) without antiviral activity. Biochemical studies revealed that 12 is a substrate for viral TK. We further investigated the interaction of 12 with the HSV-1 thymidine kinase. The conformation of 12 in solution was established by NMR spectroscopy. The most stable conformer 12A has the S-atom of the isothiazole ring placed in the neighbourhood of the C(4)=O group of the pyrimidine moiety. The compound was docked in its most stable conformation in the active site of HSV-1 TK and subjected to energy minimization. This demonstrated that the isothiazole moiety binds in a cavity lined by the side chains of Tyr-132, Arg-163, Ala-167, and Ala-168 and that the C(3) atom of the isothiazole moiety is located in close proximity of the phenolic O-atom of Tyr-132 and the aliphatic part of the Arg-163 side chain.

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 4397-53-9. Formula: C14H12O2.

Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

 

Chemistry is the experimental and theoretical study of materials on their properties at both the macroscopic and microscopic levels. 91-40-7, Name is 2-(Phenylamino)benzoic acid, molecular formula is C13H11NO2. In an article, author is Fierro, CM,once mentioned of 91-40-7, Formula: C13H11NO2.

The formation and isolation of benzisothiazole rings from the reactions of oxime-thiophenolate ligands

The reaction of [Ni(eftp)] (eftp = N, N-ethylene(6-formyl-4-methyliminatothiophenolato)] with hydroxylamine hydrochloride in the presence of potassium acetate in MeOH resulted in the formation of [Ni(L)(2)], L = 2-mercapto-5-methyl-3-({2-[(5-methylbenzo[d]isothiazol-7-ylmethylene)-amino]-ethylimino)-methyl)-benzonitrile. A single-crystal X-ray diffraction structural determination showed that the oxime groups of the proposed new binucleating ligand had reacted to produce a nitrite and an isothiazole ring, while two ligand molecules combined with one Ni(II) ion to form a new complex with a cis-S2N2 square-planar geometry. Also, the reaction of 2,6-diformyl-4-methylphenyl disulfide with hydroxylamine in MeCN resulted in the synthesis of 5-methyl-2-oxybenzo[d]isothiazole-7-carbaldehyde oxime, where an isothiazole ring had formed via the cleavage of the disulfide bond. Again, a single-crystal X-ray diffraction study confirmed the presence of a benzisothiazole product. (c) 2006 Elsevier B.V. All rights reserved.

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Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

 

In an article, author is Ignatovich, Zh. V., once mentioned the application of 76-84-6, COA of Formula: C19H16O, Name is Triphenylmethanol, molecular formula is C19H16O, molecular weight is 260.33, MDL number is MFCD00004445, category is isothiazole. Now introduce a scientific discovery about this category.

Synthesis of New Amides of Isoxazole- and Isothiazole-Substituted Carboxylic Acids Containing an Arylaminopyrimidine Fragment

By acylation of substituted 2-aminoarylpyrimidines with 5-phenyl(p-tolyl)isoxazole- and 4,5-dichloroisothiazole-3-carbonyl chlorides new amides of pyrimidine series were obtained.

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Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

 

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, Category: isothiazole, 586-76-5, Name is 4-Bromobenzoic acid, SMILES is C1=CC(=CC=C1C(O)=O)Br, belongs to isothiazole compound. In a document, author is Wu, Liang, introduce the new discover.

Enantioselective Construction of Cyclic Indolyl alpha-Amino Esters via a Friedel-Crafts Alkylation Reaction

An enantioselective Friedel-Crafts alkylation reaction of indoles with cyclic N-sulfonyl ketimino esters was developed. Under the optimized conditions using a chiral copper(II) triflate-bisoxazoline complex as the catalyst, a range of N-sulfonyl ketimino ester derivatives and indoles reacted smoothly to afford indole-containing chiral cyclic alpha-amino esters bearing tetrasubstituted alpha-stereogenic centers [3-ethoxycarbonyl-3-(3-indolyl)-2,3-dihydrobenzo[d]isothiazole 1,1-dioxides] in excellent yields and with high enantioselectivities (up to 99% ee). Pyrrole and N,N-dimethylaniline were also investigated as aromatic substrates to afford the corresponding products with good results. An asymmetric induction model was then proposed on the basis of the observed absolute configuration of the product 3-ethoxycarbonyl-3-(5-bromo-3-indolyl)-2,3-dihydrobenzo[d]isothiazole 1,1-dioxide. Synthetic transformations to convert the products into cyclic chiral N-sulfonamido alcohols and the deprotection of the sulfonamides were performed. This study provides an efficient approach to chiral alpha-tetrasubstituted indolic alpha-amino acids as potential building blocks for peptides and biologically active molecules.

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 586-76-5 is helpful to your research. Category: isothiazole.

Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

 

In an article, author is Zhou, Kaida, once mentioned the application of 93-97-0, HPLC of Formula: C14H10O3, Name is Benzoic anhydride, molecular formula is C14H10O3, molecular weight is 226.2274, MDL number is MFCD00003073, category is isothiazole. Now introduce a scientific discovery about this category.

Generation of benzosultams via a radical process with the insertion of sulfur dioxide

An efficient route to diverse 3-sulfonated-2,3-dihydrobenzo[d] isothiazole 1,1-dioxides is achieved through a three-component reaction of 2-ethynylbenzenesulfonamides, DABCO-bis(sulfur dioxide), and aryldiazonium tetrafluoroborates. The corresponding sulfonated benzosultams are produced in moderate to good yields. During the reaction process, the in situ generated arylsulfonyl radical via addition of an aryl radical to sulfur dioxide and the subsequent single electron transfer would be the key steps for the final outcome. DABCO acts as the carrier for single electron transfer, as well as a base to promote the C-N bond formation.

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Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

 

Let¡¯s face it, organic chemistry can seem difficult to learn. Especially from a beginner¡¯s point of view. Like 29679-58-1, Name is 2-(3-Phenoxyphenyl)propanoic acid. In a document, author is Castellar, Aline, introducing its new discovery. Name: 2-(3-Phenoxyphenyl)propanoic acid.

Volatile constituents from in vitro and ex vitro plants of Petiveria alliacea L.

In this work, the volatile compounds extracted by simultaneous distillation and extraction as well as the volatile constituents by solid phase micro-extraction (SPME) from different structures (in vitro and ex vitro roots, leaves, and inflorescence) of Petiveria alliacea were analyzed by GC/FID and GC/MS. Forty-one different compounds were identified. Differences were observed between plant structures and origin (either in or ex vitro). However, sulfur compounds were common to all samples, like bis(phenyl-methyl)-disulfyde, isothiazole (1,2-thiazole), 2-thiopropane, dimethyl sulphyde, ethylene disulfyde, and 2,3-dimethyl-thiirane. In vitro plant roots exhibited higher chemical diversity among the analyzed plant structures. Substances found in all analyzed structures of P. alliacea by SPME were benzaldehyde, calamenene and the hydrocarbons dodecane, tridecane, and tetradecane.

I hope this article can help some friends in scientific research. I am very proud of our efforts over the past few months and hope to 29679-58-1 help many people in the next few years. Name: 2-(3-Phenoxyphenyl)propanoic acid.

Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

 

Enzymes are biological catalysts that produce large increases in reaction rates and tend to be specific for certain reactants and products. 3466-32-8, Name is 1-Bromo-4-(methylsulfonyl)benzene, molecular formula is C7H7BrO2S, belongs to isothiazole compound. In a document, author is Hermit, MB, introduce the new discover, Category: isothiazole.

Ibotenic acid and thioibotenic acid: a remarkable difference in activity at group III metabotropic glutamate receptors

In this study, we have determined and compared the pharmacological profiles of ibotenic acid and its isothiazole analogue thioibotenic acid at native rat ionotropic glutamate (iGlu) receptors and at recombinant rat metabotropic glutamate (mGlu) receptors expressed in mammalian cell lines. Thioibotenic acid has a distinct pharmacological profile at group III mGlu receptors compared with the closely structurally related ibotenic acid; the former is a potent (low mum) agonist, whereas the latter is inactive. By comparing the conformational energy profiles of ibotenic and thioibotenic acid with the conformations preferred by the ligands upon docking to mGlu(1) and models of the other mGlu subtypes, we propose that unlike other subtypes, group III mGlu receptor binding sites require a ligand conformation at an energy level which is prohibitively expensive for ibotenic acid, but not for thioibotenic acid. These studies demonstrate how subtle differences in chemical structures can result in profound differences in pharmacological activity. (C) 2004 Elsevier B.V. All rights reserved.

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 3466-32-8. Category: isothiazole.

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Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

 

Chemistry is an experimental science, Name: Sodium 4-(propoxycarbonyl)phenolate, and the best way to enjoy it and learn about it is performing experiments.Introducing a new discovery about 35285-69-9, Name is Sodium 4-(propoxycarbonyl)phenolate, molecular formula is C10H11NaO3, belongs to isothiazole compound. In a document, author is Moon, Sanghun.

Synthesis of Isothiazoles and Isoselenazoles through Rhodium-Catalyzed Oxidative Annulation with Elemental Sulfur and Selenium

A rhodium-catalyzed oxidative annulation of benzimidates with elemental sulfur for the direct construction of isothiazole rings is reported. The proposed reaction mechanism involving Rh(I)/Rh(III) redox is supported by a stoichiometric reaction of metallacycle species as well as DFT calculations. This method is also applicable to selenium cyclization to produce isoselenazole derivatives. The alkoxy substituent at C3 can be used for further functionalization of the azole core.

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 35285-69-9, in my other articles. Name: Sodium 4-(propoxycarbonyl)phenolate.

Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

 

Chemistry is traditionally divided into organic and inorganic chemistry. The former is the study of compounds containing at least one carbon-hydrogen bonds. 93-97-0, Name is Benzoic anhydride, molecular formula is C14H10O3, belongs to isothiazole compound, is a common compound. In a patnet, author is DOBLE, A, once mentioned the new application about 93-97-0, Safety of Benzoic anhydride.

PHARMACOLOGICAL CHARACTERIZATION OF RP-62203, A NOVEL 5-HYDROXYTRYPTAMINE 5-HT2 RECEPTOR ANTAGONIST

1 RP 62203 (2-[3-(4-(4-fluorophenyl)-piperazinyl)propyl]naphto[1,8-ca]isothiazole-1,1-dioxide) is a novel naphtosultam derivative which shows very high affinity for 5-HT2 receptors in the rat cerebral cortex (K(i) = 50.0 pM). 2 RP 62203 is relatively selective for this sub-type of 5-hydroxytryptamine (5-HT) receptor, having lower affinity for the 5-HT1A receptor and very low affinity for the 5-HT3 receptor. RP 62203 displayed low to moderate affinity for alpha(1)-adrenoceptors, dopamine D2 receptors and histamine H-1 receptors. 3 In vivo binding experiments demonstrated that oral administration of low doses of RP 62203 led to a long-lasting (> 6 h) occupation of cortical 5-HT2 receptors (ID50 = 0.39 mg kg-1). 4 In cortical slices from the neonatal rat, RP 62203 potently inhibited inositol phosphate formation evoked by 5-HT, with an IC50 of 7.76 nM. 5 The activity of neurones in the raphe and their responses to microiontophoretically applied 5-HT were studied with extracellular recording electrodes in the anaesthetized rat. RP 62203 potently and dose-dependently blocked excitations evoked by 5-HT when administered at doses of 0.5-4.0 mg kg-1, i.p. In contrast, neither 5-HT-evoked depressions nor glutamate-evoked excitations of raphe neuronal firing were blocked by RP 62203 at doses as high as 8.0 mg kg-1, i.p. 6 Head twitches induced by 1-(2,5-dimethoxy-4-iodophenyl)-2-aminopropane (DOI) could be abolished by low doses of RP 62203 in mice (ED50 = 0.44 mg kg-1, p.o.) and in rats (ED50 = 1.54 p.o.). Similar results were obtained with mescaline and 5-hydroxytryptophan (5-HTP). 7 The potency of RP 62203 was compared with that of three other 5-HT2 receptor antagonists, ritanserin, ICI 169,369 and ICI 170,809. In all models, RP 62203 showed similar activity to ritanserin, whilst either ICI 169,369 or ICI 170,809 was several fold less active. 8 It is concluded that RP 62203 is a potent and selective antagonist at 5-HT2 receptors in the rodent central nervous system.

We¡¯ll also look at important developments in the pharmaceutical industry because understanding organic chemistry is important in understanding health, medicine, 93-97-0. The above is the message from the blog manager. Safety of Benzoic anhydride.

Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com