Month: February 2023

AMHB: (Anti)aromaticity-Modulated Hydrogen Bonding was written by Kakeshpour, Tayeb;Wu, Judy I.;Jackson, James E.. And the article was included in Journal of the American Chemical Society in 2016.Application of 1003-07-2 This article mentions the following:

This in silico survey shows that changes in the (anti)aromatic character of π-conjugated heterocycles can be used to fine-tune their hydrogen (H-)bond strengths. Upon H-bonding dimerization, the π-electrons of these rings can be polarized to reinforce or disrupt their (anti)aromatic π-conjugated circuits (πCCs) and stabilize or destabilize the resulting H-bonded complexes. H-bonding interactions that enhance aromaticity or relieve antiaromaticity are fortified, whereas those that intensify antiaromaticity or disrupt aromaticity are weakened, relative to analogs lacking full π-circuits. Computed dissected nucleus-independent chem. shifts, NICS(1)_zz, reveal a uniform pattern and document changes in the magnetic (anti)aromatic character of the heterocycles considered. Recognition of this (anti)aromaticity-modulated H-bonding (AMHB) phenomenon offers insights into a range of fields from organocatalysis and self-assembly to pharmaceutical chem. and mol. biol. In the experiment, the researchers used many compounds, for example, Isothiazol-3(2H)-one (cas: 1003-07-2Application of 1003-07-2).

Isothiazol-3(2H)-one (cas: 1003-07-2) belongs to isothiazole derivatives. The chemistry of isothiazoles is being intensively developed, which is evidenced by the wide range of selective transformations involving the isothiazole heterocycle and the high biological activity of its derivatives that can be used as effective new drugs and plant protection chemicals. Many compounds with an isothiazole scaffold demonstrated a wide range of biological profiles, including antiinflammatory, antithrombotic, and anticonvulsive agents.Application of 1003-07-2

Referemce:
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

Contact allergy in danish children: current trends was written by Simonsen, Anne B.;Foss-Skiftesvik, Majken H.;Thyssen, Jacob P.;Deleuran, Mette;Mortz, Charlotte G.;Zachariae, Claus;Skov, Lone;Osterballe, Morten;Funding, Anne;Avnstorp, Christian;Andersen, Bo L.;Vissing, Susanne;Danielsen, Anne;Dufour, Nathalie;Nielsen, Niels H.;Thormann, Henrik;Sommerlund, Mette;Johansen, Jeanne D.. And the article was included in Contact Dermatitis in 2018.Application of 1003-07-2 This article mentions the following:

Background : Contact allergy is common in children, but may be underdiagnosed. Importantly, the clin. relevance of specific allergies is subject to constant change, and it is therefore important to continuously monitor the trends and changes of contact allergies in the paediatric population. Objectives : To identify possible changes in contact allergy and allergic contact dermatitis among Danish children referred for patch testing. Methods : A retrospective study was performed based on patch test data from the Danish National Database of Contact allergy. The current data were compared with previously published data on Danish children referred for patch testing. Results : Between 2012 and 2016, 1573 children and adolescents were patch tested. Overall, 385 (24.5%) had at least 1 pos. patch test reaction. The overall prevalence was similar in boys and girls, across age groups, and in patients with and without atopic dermatitis. Statistically significant increases in contact allergy to fragrances and isothiazoliones were seen, whereas a decrease in nickel allergy was found. Conclusion : Allergic contact dermatitis continues to be a common disease in children, and is even significantly increasing for some allergens. In the experiment, the researchers used many compounds, for example, Isothiazol-3(2H)-one (cas: 1003-07-2Application of 1003-07-2).

Isothiazol-3(2H)-one (cas: 1003-07-2) belongs to isothiazole derivatives. Isothiazoles and benzisothiazoles are usually liquids or low-melting-point solids; polar substituents increase the melting points because of the possibility of hydrogen bonding and other interactions in the crystalline state. Many compounds with an isothiazole scaffold demonstrated a wide range of biological profiles. Some of these molecules have been efficiently used in the treatment of Alzheimer’s disease.Application of 1003-07-2

Referemce:
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

Effects of several atypical antipsychotics closapine, sertindole or ziprasidone on hepatic antioxidant enzymes: Possible role in drug-induced liver dysfunction was written by Platanic Arizanovic, Lena;Nikolic-Kokic, Aleksandra;Brkljacic, Jelena;Tatalovic, Nikola;Miler, Marko;Orescanin-Dusic, Zorana;Vidonja Uzelac, Teodora;Nikolic, Milan;Milosevic, Verica;Blagojevic, Dusko;Spasic, Snezana;Miljevic, Cedo. And the article was included in Journal of Toxicology and Environmental Health, Part A: Current Issues in 2021.Reference of 146939-27-7 This article mentions the following:

Chronic use of atypical antipsychotics may produce hepatic damage. Atypical antipsychotics, including clozapine, sertindole, and ziprasidone, are extensively metabolized by the liver and this process generates toxic-free radical metabolic intermediates which may contribute to liver damage. The aim of this study was to investigate whether clozapine, sertindole, or ziprasidone affected hepatic antioxidant defense enzymes which consequently led to disturbed redox homeostasis. The expression and activity of antioxidant enzymes superoxide dismutase (SOD), glutathione peroxidase (GPx), glutathione reductase (GR), catalase (CAT), and glutathione-S-transferases (GST) were measured in rat livers at doses corresponding to human antipsychotic therapy. Clozapine increased activity of SOD types 1 and 2, GR and GST, but reduced CAT activity. Sertindole elevated activities of both SODs. In ziprasidone-treated rats only decreased CAT activity was found. All three antipsychotics produced mild-to-moderate hepatic histopathol. changes categorized as regenerative alterations. No apparent signs of immune cell infiltration, microvesicular or macrovesicular fatty change, or hepatocytes in mitosis were observed In conclusion, a 4-wk long daily treatment with clozapine, sertindole, or ziprasidone altered hepatic antioxidant enzyme activities and induced histopathol. changes in liver. The most severe alterations were noted in clozapine-treated rats. Data indicate that redox disturbances may contribute to liver dysfunction after long-term atypical antipsychotic drug treatment. In the experiment, the researchers used many compounds, for example, 5-(2-(4-(Benzo[d]isothiazol-3-yl)piperazin-1-yl)ethyl)-6-chloroindolin-2-one (cas: 146939-27-7Reference of 146939-27-7).

5-(2-(4-(Benzo[d]isothiazol-3-yl)piperazin-1-yl)ethyl)-6-chloroindolin-2-one (cas: 146939-27-7) belongs to isothiazole derivatives. Isothiazoles and benzisothiazoles are usually liquids or low-melting-point solids; polar substituents increase the melting points because of the possibility of hydrogen bonding and other interactions in the crystalline state. In general, isothiazole undergoes nitration in the presence of HNO3, sulfuric acid, and sulfonation by using sulfuric acid under thermal conditions to generate corresponding 4-nitro- and 4-sulfonic acid derivatives, respectively.Reference of 146939-27-7

Referemce:
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

Research on complex biocide in circulating cooling water supplied by reclaimed water was written by Wu, Qing;Zheng, Bo;Tian, Yimei;Wang, Lingling. And the article was included in Gongye Shuichuli in 2013.Name: Isothiazol-3(2H)-one This article mentions the following:

To study the possibility of using reclaimed water as the make-up water source in circulating cooling systems, the biocidal effect of different biocides was compared. Complex biocides with better biocidal effect and low dosage were thus obtained. The effluent from a reclaimed water plant in a northern city was taken as research target. Based on the anal. of water quality, the biocidal effects of three kinds of oxidizing biocides and two kinds of nonoxidizing biocides, which were used individually, were studied by measuring the total number of heterotrophic bacteria and total number of iron bacteria in circulating cooling water. The results showed that NaClO could cooperate well with isothiazolinone, while ClO₂ could cooperate well with geramine. In the experiment, the researchers used many compounds, for example, Isothiazol-3(2H)-one (cas: 1003-07-2Name: Isothiazol-3(2H)-one).

Isothiazol-3(2H)-one (cas: 1003-07-2) belongs to isothiazole derivatives. Isothiazoles and isothiazolium cations are attacked by carbanions at sulfur and on recyclization can give thiophenes. Many compounds with an isothiazole scaffold demonstrated a wide range of biological profiles. Some of these molecules have been efficiently used in the treatment of Alzheimer’s disease.Name: Isothiazol-3(2H)-one

Referemce:
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

Drug Repurposing to Discover Novel Anti-Inflammatory Agents Inhibiting JAK3/STAT Signaling was written by Sheikh, S. Y.;Hassan, F.;Khan, M. F.;Ahamad, T.;Ansari, W. A.;Akhter, Y.;Khafagy, El-Sayed;Khan, A. R.;Nasibullah, M.. And the article was included in Russian Journal of Bioorganic Chemistry in 2022.Name: 5-(2-(4-(Benzo[d]isothiazol-3-yl)piperazin-1-yl)ethyl)-6-chloroindolin-2-one This article mentions the following:

Among the JAKs, JAK3 is the most important target for the treatment of inflammatory diseases because its inhibition showed the utmost immunosuppression. Many JAK3 inhibitors are already available but most of them showed acquired drug resistance or objectionable side effects. To prevent inflammatory diseases, novel and superior drugs are needed. The drug repositioning is an alternate process that can be used as a fast-track approach. Drugs already approved by regulatory agencies have well-known pharmacokinetics and safety profile. When a new therapeutic activity has been identified, the entities can be rapidly advanced into clin. trials. To identify new promising lead mols., we have selected 1150 approved drugs for their potential to be repurposed for inflammatory diseases. The library of approved drugs was obtained from zinc data base and JAK3 (PDB ID: 3LXK) was retrieved from protein data bank and used for mol. docking simulation and protein-ligand interaction anal. The virtual screening of full library of drugs by AutoDock Vina version PyRx 0.8 and selected 100 drug mols. and further filtered through click-1 docking software. The binding affinity of top 8 drugs ranges between -10.3 to -7.8 kcal/mol. The threshold binding affinity of fluspirilene for JAK3 was -10.3 kcal/mol was repurposed to be promising drug candidate for inflammatory diseases. The results showed that fluspirilene has best docking interaction with JAK3 (PDB ID: 3LXK) and mol. dynamics simulation was also carried out to investigate structural conformations and to explore the key amino acids in the interaction between target and ligands. In conclusion, fluspirilene could be one of the alternative drugs for the treatment of inflammatory diseases. In the experiment, the researchers used many compounds, for example, 5-(2-(4-(Benzo[d]isothiazol-3-yl)piperazin-1-yl)ethyl)-6-chloroindolin-2-one (cas: 146939-27-7Name: 5-(2-(4-(Benzo[d]isothiazol-3-yl)piperazin-1-yl)ethyl)-6-chloroindolin-2-one).

5-(2-(4-(Benzo[d]isothiazol-3-yl)piperazin-1-yl)ethyl)-6-chloroindolin-2-one (cas: 146939-27-7) belongs to isothiazole derivatives. Isothiazole is more toxic than pyridine. But the more substituted isothiazoles are usually far less toxic. In general, isothiazole undergoes nitration in the presence of HNO3, sulfuric acid, and sulfonation by using sulfuric acid under thermal conditions to generate corresponding 4-nitro- and 4-sulfonic acid derivatives, respectively.Name: 5-(2-(4-(Benzo[d]isothiazol-3-yl)piperazin-1-yl)ethyl)-6-chloroindolin-2-one

Referemce:
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

The total synthesis and biological properties of the cytotoxic macrolide FD-891 and its non-natural (Z)-C12 isomer was written by Garcia-Fortanet, Jorge;Murga, Juan;Carda, Miguel;Marco, J. Alberto;Matesanz, Ruth;Diaz, J. Fernando;Barasoain, Isabel. And the article was included in Chemistry – A European Journal in 2007.Product Details of 128947-19-3 This article mentions the following:

A total, stereoselective synthesis of the naturally occurring, cytotoxic macrolide FD-891 (I) and of its non-natural (Z)-C12 isomer is described. Three fragments of the main carbon chain were stereoselectively prepared by using asym. aldol and allylation reactions as the key steps. The mol. was then assembled by using two Julia-Kocienski olefinations to connect the three fragments and a Yamaguchi reaction to close the macrolactone ring. Some specific biol. properties (cytotoxicity, binding to tubulin) have been determined for both macrolides. The E configuration of the C12-C13 olefinic bond seems to be an important feature in determining the cytotoxicity but the precise biol. mechanism of the latter still remains to be cleared. In the experiment, the researchers used many compounds, for example, 1-((3aR,6S,7aS)-8,8-Dimethyl-2,2-dioxidohexahydro-1H-3a,6-methanobenzo[c]isothiazol-1-yl)propan-1-one (cas: 128947-19-3Product Details of 128947-19-3).

1-((3aR,6S,7aS)-8,8-Dimethyl-2,2-dioxidohexahydro-1H-3a,6-methanobenzo[c]isothiazol-1-yl)propan-1-one (cas: 128947-19-3) belongs to isothiazole derivatives. Isothiazole is a good solvent for many organic substances but should be used with caution because it is more toxic than pyridine. It has been found that isothiazole-based compounds show synergistic effects when used with other biocidal compounds.Product Details of 128947-19-3

Referemce:
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

Case Report: Ziprasidone induced neuroleptic malignant syndrome. was written by Sedhai, Yub Raj;Atreya, Alok;Phuyal, Prabin;Basnyat, Soney;Pokhrel, Sagar. And the article was included in F1000Research in 2021.Application of 146939-27-7 This article mentions the following:

Neuroleptic malignant syndrome (NMS) is a well-recognized neurologic emergency. It presents with classic features including hyperthermia, autonomic instability, muscle hypertonia, and mental status changes. The syndrome is potentially fatal and is associated with significant morbidity due to complications such as rhabdomyolysis, acute kidney injury, and ventricular arrhythmias due to the trans-cellular electrolyte shift. NMS is conventionally associated with the first-generation antipsychotic agents, however, has been described with the use of atypical and novel antipsychotics including Ziprasidone. A case of NMS with Ziprasidone use at the therapeutic dose is reported here. In the experiment, the researchers used many compounds, for example, 5-(2-(4-(Benzo[d]isothiazol-3-yl)piperazin-1-yl)ethyl)-6-chloroindolin-2-one (cas: 146939-27-7Application of 146939-27-7).

5-(2-(4-(Benzo[d]isothiazol-3-yl)piperazin-1-yl)ethyl)-6-chloroindolin-2-one (cas: 146939-27-7) belongs to isothiazole derivatives. Isothiazoles and benzisothiazoles are usually liquids or low-melting-point solids; polar substituents increase the melting points because of the possibility of hydrogen bonding and other interactions in the crystalline state. Isothiazoles are readily prepared from isoxazoles. Thus, reductive ring opening of isoxazoles gives enaminones , which on treatment with phosphorus pentasulfide and chloranil give the corresponding isothiazoles.Application of 146939-27-7

Referemce:
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

Isothiazolinones in cleaning products: Analysis with liquid chromatography tandem mass spectrometry of samples from sensitized patients and market was written by Marrero-Aleman, Gabriel;Borrego, Leopoldo;Antuna, Ana Gonzalez;Macias Montes, Ana;Perez Luzardo, Octavio. And the article was included in Contact Dermatitis in 2020.Quality Control of Isothiazol-3(2H)-one This article mentions the following:

Background : Methylchloroisothiazolinone (MCI) and methylisothiazolinone (MI) contact dermatitis is a severe problem. The high concentrations of these substances and other isothiazolinones such as benzisothiazolinone (BIT) and octylisothiazolinone (OIT) contained in cleaning products may cause allergic contact dermatitis in sensitized patients. Objectives : To evaluate the exposure to isothiazolinones contained in cleaning products on the market and from sensitized patients, and to verify the accuracy of labeling. Methods : A total of 34 cleaning products were collected (17 supplied by sensitized patients and 17 bought randomly). Anal. was made of the concentrations of MI, MCI, BIT, and OIT using liquid chromatog. tandem mass spectrometry (LC-MS/MS). Results : MI and BIT were the components most frequently detected. Of all the products analyzed, 76.5% contained at least one isothiazolinone. Twelve products had an MI concentration above the permitted level for rinse-off cosmetics. Most of them were coming into direct contact with the skin in daily use. Mislabeling occurred in eight products. Conclusions : Some cleaning products with high concentrations of isothiazolinones may cause cutaneous symptoms in sensitized patients, especially in spray form. The labeling should be correct, also regarding the use of each article. In the experiment, the researchers used many compounds, for example, Isothiazol-3(2H)-one (cas: 1003-07-2Quality Control of Isothiazol-3(2H)-one).

Isothiazol-3(2H)-one (cas: 1003-07-2) belongs to isothiazole derivatives. Isothiazoles and their saturated and/or oxygenated analogs play an important role in pharmaceutical research. In general, isothiazole undergoes nitration in the presence of HNO3, sulfuric acid, and sulfonation by using sulfuric acid under thermal conditions to generate corresponding 4-nitro- and 4-sulfonic acid derivatives, respectively.Quality Control of Isothiazol-3(2H)-one

Referemce:
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com