Day: February 22, 2023

The interplay between a multifunctional dehydratase domain and a C-methyltransferase effects olefin shift in ambruticin biosynthesis was written by Berkhan, Gesche;Merten, Christian;Holec, Claudia;Hahn, Frank. And the article was included in Angewandte Chemie, International Edition in 2016.Quality Control of 1-((3aR,6S,7aS)-8,8-Dimethyl-2,2-dioxidohexahydro-1H-3a,6-methanobenzo[c]isothiazol-1-yl)propan-1-one This article mentions the following:

The olefin shift is an important modification during polyketide biosynthesis. Particularly for type I cis-AT PKS, little information has been gained on the enzymic mechanisms involved. We present our in vitro investigations on the olefin shift occurring during ambruticin biosynthesis. The unique, multifunctional domain AmbDH4 catalyzes consecutive dehydration, epimerization, and enoyl isomerization. The resulting 3-enethioate is removed from the equilibrium by α-methylation catalyzed by the highly specific C-methyltransferase AmbM. This thermodynamically unfavorable overall process is enabled by the high, concerted substrate specificity of the involved enzymes. AmbDH4 shows close relationship to DH domains and initial mechanistic studies suggest that the olefin shift occurs via a similar proton-shuttling mechanism as previously described for EI domains from trans-AT-PKS. 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: 128947-19-3Quality Control of 1-((3aR,6S,7aS)-8,8-Dimethyl-2,2-dioxidohexahydro-1H-3a,6-methanobenzo[c]isothiazol-1-yl)propan-1-one).

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. 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.Quality Control of 1-((3aR,6S,7aS)-8,8-Dimethyl-2,2-dioxidohexahydro-1H-3a,6-methanobenzo[c]isothiazol-1-yl)propan-1-one

Referemce:
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

Causes of malfunctions of RO sewage treatment plant and countermeasures was written by Xiong, Qiwu;Chang, Kai. And the article was included in Zhongwai Nengyuan in 2013.SDS of cas: 1003-07-2 This article mentions the following:

Sinopec Yanshan Company’s 1200 m³/h ultra-filtration reverse osmosis sewage treatment plant met with a serious fault after nearly six years of stable operation. The RO membrane was seriously contaminated, resulting in a steep decline in output of treated water. Anal. showed that RO membrane blockage was the main cause of this breakdown, which resulted from the rapid growth of microorganism at high temperatures in summer days and the precipitation of salt due to high contents of inorganic salts in the water being treated, such as iron, manganese and aluminum. Based on field experiment results and actual production conditions, technicians proposed and took countermeasures, including adding inoxidable bactericides (isothiazolinone and DBNPA; dosing method: impact mode + continuous low-concentration dosing; dose: about 100 mg/L), adding new type of scale inhibitor (dose: about 3 mg/L), increasing the use of sodium hypochlorite (residual chlorine in concentrated water controlled between 0.5 and 0.8 mg/L), controlling the use of polyaluminum chloride between 10 and 14 mg/L, and optimizing chem. cleaning schemes. After the above measures were taken, the contaminants on the RO membrane were brought under control and the performance of the membrane recovered. More than 70% of manganese ions were removed. The operation cycle of the sewage treatment plant was extended to about 20 days from seven days and output of treated water increased by 5 × 10⁴t per mo. In the experiment, the researchers used many compounds, for example, Isothiazol-3(2H)-one (cas: 1003-07-2SDS of cas: 1003-07-2).

Isothiazol-3(2H)-one (cas: 1003-07-2) belongs to isothiazole derivatives. Similar to other five-membered heterocycles, isothiazoles react with a wide range of electrophilic and nucleophilic reagents to form diverse products. Various penicillins and cephalosporins having an isothiazole ring system have shown considerable antibacterial efficacy against Gram-positive and Gram-negative bacteria.SDS of cas: 1003-07-2

Referemce:
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

Effect of EEG biofeedback combined with ziprasidone and olanzapine on cognitive function and daily living ability in patients with schizophrenia was written by Yan, Li-li;Zhou, Xian-hua;Wang, Tian-ming;Jiang, Yu;Jiang, Xiao-jian. And the article was included in Xiandai Zhenduan Yu Zhiliao in 2021.Application In Synthesis of 5-(2-(4-(Benzo[d]isothiazol-3-yl)piperazin-1-yl)ethyl)-6-chloroindolin-2-one This article mentions the following:

Objective: To investigate the effect of EEG biofeedback combined with ziprasidone and olanzapine on cognitive function and daily living ability in patients with schizophrenia (SCH). Methods: A total of 100 patients with SCH who were admitted to Shangyou Ankang Hospital and Ruijin Ankang Hospital from Jan. 2019 to March 2020 were selected and randomly divided into the control group and the observation group with 50 cases in each group. The control group was treated with ziprasidone combined with olanzapine, and the observation group was treated with EEG biofeedback combined with ziprasidone and olanzapine for 3 mo. The scores of cognitive function [Mini-Mental State Examination (MMSE)], daily living ability [ADL (ADL)] score, and adverse reactions during treatment were compared between the two groups before treatment and after 3 mo of treatment. Results: After 3 mo of treatment, the MMSE and ADL scores of the two groups were higher than those before treatment, and the observation group was higher than the control group, with statistical significance (P < 0.05). During the treatment, there was no significant difference in the adverse reaction rate between the two groups (P > 0.05). Conclusion: EEG biofeedback combined with ziprasidone and olanzapine in patients with SCH can improve cognitive function and daily living ability without increasing adverse reactions. 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 In Synthesis of 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. Similar to other five-membered heterocycles, isothiazoles react with a wide range of electrophilic and nucleophilic reagents to form diverse products. Various penicillins and cephalosporins having an isothiazole ring system have shown considerable antibacterial efficacy against Gram-positive and Gram-negative bacteria.Application In Synthesis of 5-(2-(4-(Benzo[d]isothiazol-3-yl)piperazin-1-yl)ethyl)-6-chloroindolin-2-one

Referemce:
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

12-year data on dermatologic cases in the Finnish Register of Occupational Diseases I: Distribution of different diagnoses and main causes of allergic contact dermatitis was written by Aalto-Korte, Kristiina;Koskela, Kirsi;Pesonen, Maria. And the article was included in Contact Dermatitis in 2020.Synthetic Route of C3H3NOS This article mentions the following:

Skin diseases are among the most common occupational diseases, but detailed analyses on their epidemiol., diagnosis, and causes are relatively scarce. To analyze data on skin disease in the Finnish Register of Occupational Diseases (FROD) for (1) different diagnosis and (2) main causes of allergic contact dermatitis (ACD). We retrieved data on recognized cases with occupational skin disease (OSD) in the FROD from a 12-yr-period 2005-2016 and used national official labor force data of the year 2012. We analyzed a total of 5265 cases, of which 42% had irritant contact dermatitis (ICD), 35% ACD, 11% contact urticaria/protein contact dermatitis (CU/PCD), and 9% skin infections. The incidence rate of OSD in the total labor force was 18.8 cases/100 000 person years. Skin infections concerned mainly scabies in health care personnel. Twenty-nine per cent of the ACD cases were caused by plastics/resins-related allergens, mainly epoxy chems. Other important causes for ACD were rubber, preservatives, metals, acrylates, and hairdressing chems. Cases of occupational ACD due to isothiazolinones reached a peak in 2014. Our anal. confirms that epoxy products are gaining importance as causes of OSD and the isothiazolinone contact allergy epidemic has started to wane. In the experiment, the researchers used many compounds, for example, Isothiazol-3(2H)-one (cas: 1003-07-2Synthetic Route of C3H3NOS).

Isothiazol-3(2H)-one (cas: 1003-07-2) belongs to isothiazole derivatives. Similar to other five-membered heterocycles, isothiazoles react with a wide range of electrophilic and nucleophilic reagents to form diverse products. Many compounds with an isothiazole scaffold demonstrated a wide range of biological profiles, including antiinflammatory, antithrombotic, and anticonvulsive agents.Synthetic Route of C3H3NOS

Referemce:
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

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