Day: February 23, 2023

Micropollutants in urban stormwater: occurrence, concentrations, and atmospheric contributions for a wide range of contaminants in three French catchments was written by Gasperi, J.;Sebastian, C.;Ruban, V.;Delamain, M.;Percot, S.;Wiest, L.;Mirande, C.;Caupos, E.;Demare, D.;Kessoo, M. Diallo Kessoo;Saad, M.;Schwartz, J. J.;Dubois, P.;Fratta, C.;Wolff, H.;Moilleron, R.;Chebbo, G.;Cren, C.;Millet, M.;Barraud, S.;Gromaire, M. C.. And the article was included in Environmental Science and Pollution Research in 2014.Quality Control of Isothiazol-3(2H)-one This article mentions the following:

This study aimed at: (a) providing information on the occurrence and concentration ranges in urban stormwater for a wide array of pollutants (n = 77); (b) assessing whether despite the differences between various catchments (land use, climatic conditions, etc.), the trends in terms of contamination level are similar; and (c) analyzing the contribution of total atm. fallout (TAF) with respect to sources endogenous to this contamination. The studied contaminants include conventional stormwater contaminants (polycyclic aromatic hydrocarbons (PAHs), Zn, Cu, Pb, etc.), in addition to poorly or undocumented pollutants such as nonylphenol and octylphenol ethoxylates (NPnEO and OPnEO), bisphenol A (BPA), polybrominated di-Ph ethers (PBDEs), a wide variety of pesticides, and various metals of relevance (As, Ti, Sr, V). Sampling and anal. were performed using homogeneous methods on three urban catchments with different land use patterns located in three distinct French towns. For many of these pollutants, the results do not allow highlighting a significant difference in stormwater quality at the scale of the three urban catchments considered. Significant differences were, however, observed for several metals (As, Cr, Cu, Ni, Sr and Zn), PAHs, and PBDEs, though this assessment would need to be confirmed by further experiments The pollutant distributions between dissolved and particulate phases were found to be similar across the three exptl. sites, thus suggesting no site dependence. Lastly, the contributions of TAF to stormwater contamination for micropollutants were quite low. This finding held true not only for PAHs, as previously demonstrated in the literature, but also for a broader range of mols. such as BPA, NPnEO, OPnEO, and PBDEs, whose high local production is correlated with the leaching of urban surfaces, buildings, and vehicles. 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 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, including antiinflammatory, antithrombotic, and anticonvulsive agents.Quality Control of Isothiazol-3(2H)-one

Referemce:
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

Genome-wide association study of antipsychotic-induced sinus bradycardia in Chinese schizophrenia patients was written by Weng, Saizheng;Wang, Bo;Li, Mo;Chao, Shan;Lin, Ruiqian;Zheng, Rongyan;Yu, Yinliang;Guo, Shaonan;Lin, Xianhao. And the article was included in PLoS One in 2021.Recommanded Product: 5-(2-(4-(Benzo[d]isothiazol-3-yl)piperazin-1-yl)ethyl)-6-chloroindolin-2-one This article mentions the following:

Second-generation antipsychotics (SGAs) play a critical role in current treatment of schizophrenia (SCZ). It has been observed that sinus bradycardia, rare but in certain situations life threatening adverse drug reaction, can be induced by SGAs across different schizophrenia populations. However, the roles of genetic factors in this phenomenon have not been studied yet. In the present study, a genome-wide association study of single nucleotide polymorphisms (SNPs) was performed on Chinese Han SCZ patients to identify susceptibility loci that were associated with sinus bradycardia induced by SGAs. This study applied microarray to obtain genotype profiles of 88 Han Chinese SCZ patients. Our results found that there were no SNPs had genome-wide significant association with sinus bradycardia induced by SGAs. The top GWAS hit located in gene KIAA0247, which mainly regulated by the tumor suppressor P53 and thus plays a role in carcinogenesis based on resent research and it should not be a susceptibility locus to sinus bradycardia induced by SGAs. Using gene-set functional anal., we tested that if top 500 SNPs mapped genes were relevant to sinus bradycardia. The result of gene prioritization anal. showed CTNNA3 was strongly correlated with sinus bradycardia, hinting it was a susceptibility gene of this ADR. Our study provides a preliminary study of genetic variants associated with sinus bradycardia induced by SGAs in Han Chinese SCZ patients. The discovery of a possible susceptibility gene shed light on further study of this adverse drug reaction in Han Chinese SCZ patients. 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: 146939-27-7Recommanded Product: 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. It has been found that isothiazole-based compounds show synergistic effects when used with other biocidal compounds.Recommanded Product: 5-(2-(4-(Benzo[d]isothiazol-3-yl)piperazin-1-yl)ethyl)-6-chloroindolin-2-one

Referemce:
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

Diastereoselective Conjugate Reduction and Enolate Trapping with Glyoxylate Imines. A Concise Approach to β-Lactams that Involves a Ternary Combination of Components was written by Palomo, Claudio;Aizpurua, Jesus M.;Gracenea, Jose Javier. And the article was included in Journal of Organic Chemistry in 1999.Category: isothiazole This article mentions the following:

The conjugate addition of hydride reagents to enolates and subsequent condensation of the resulting enolate with an imine is used to prepare β-lactams. In the experiment, the researchers used many compounds, for example, 1-((3aS,6R,7aR)-8,8-Dimethyl-2,2-dioxidohexahydro-1H-3a,6-methanobenzo[c]isothiazol-1-yl)prop-2-en-1-one (cas: 94594-91-9Category: isothiazole).

1-((3aS,6R,7aR)-8,8-Dimethyl-2,2-dioxidohexahydro-1H-3a,6-methanobenzo[c]isothiazol-1-yl)prop-2-en-1-one (cas: 94594-91-9) 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. 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.Category: isothiazole

Referemce:
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

Synthesis and CD spectra in MeCN, MeOH, and H₂O of γ-oligopeptides with hydroxy groups on the backbone was written by Brenner, Meinrad;Seebach, Dieter. And the article was included in Helvetica Chimica Acta in 2001.Name: 1-((3aS,6R,7aR)-8,8-Dimethyl-2,2-dioxidohexahydro-1H-3a,6-methanobenzo[c]isothiazol-1-yl)prop-2-en-1-one This article mentions the following:

γ⁴-Tripeptides and γ⁴-hexapeptides, I [n = 1, 2; R¹ = Boc (Boc = tert-butoxycarbonyl), R² = Bn;] and II (n = 1, 2; R¹ = Boc, R² = Bn, or n = 2, R¹ = R² = H) with OH groups in the 2- or 3-position on each residue have been prepared The corresponding 2-hydroxy amino acids were obtained by Si-nitronate (3+2) cycloadditions to the acryloyl derivative of Oppolzer’s sultam and Raney-Ni reduction of the resulting 1,2-oxazolidines. The 3-hydroxy amino acid derivatives were prepared by chain elongation via Claisen condensation of Boc-Ala-OH, Boc-Val-OH, and Boc-Leu-OH, and NaBH₄ reduction of the Me 4-amino 3-oxo carboxylates formed. The N-Boc hydroxy amino acids were coupled in solution to give the γ-peptides. CD spectra of the new types of γ-peptides were recorded and compared with those of simple γ²-, γ³-, γ⁴-, and γ^2,3,4-peptides. An intense Cotton effect at ca. 200 nm ([Θ]= -2.10⁵ deg·cm²·dmol^-1) indicates that the hexapeptide built of (3R,4S)-4-amino-3-hydroxy acids (with the side chains of Val, Ala, Leu) folds to a secondary structure so far unknown. The stability of peptides from β- and γ-amino acids, which carry heteroatoms on their backbones is discussed. Positions on the γ-peptidic 2.6₁₄ helix are identified at which non-H-atoms are “allowed”. In the experiment, the researchers used many compounds, for example, 1-((3aS,6R,7aR)-8,8-Dimethyl-2,2-dioxidohexahydro-1H-3a,6-methanobenzo[c]isothiazol-1-yl)prop-2-en-1-one (cas: 94594-91-9Name: 1-((3aS,6R,7aR)-8,8-Dimethyl-2,2-dioxidohexahydro-1H-3a,6-methanobenzo[c]isothiazol-1-yl)prop-2-en-1-one).

1-((3aS,6R,7aR)-8,8-Dimethyl-2,2-dioxidohexahydro-1H-3a,6-methanobenzo[c]isothiazol-1-yl)prop-2-en-1-one (cas: 94594-91-9) 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.Name: 1-((3aS,6R,7aR)-8,8-Dimethyl-2,2-dioxidohexahydro-1H-3a,6-methanobenzo[c]isothiazol-1-yl)prop-2-en-1-one

Referemce:
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

Persistence of Isothiazolinones in Clothes After Machine Washing was written by Marrero-Aleman, Gabriel;Borrego, Leopoldo;Gonzalez Antuna, Ana;Macias Montes, Ana;Perez Luzardo, Octavio. And the article was included in Dermatitis in 2021.Category: isothiazole This article mentions the following:

Sensitization to methylchloroisothiazolinone (MCI) and methylisothiazolinone (MI) is a worldwide problem. Washing machine detergents are suspected to cause cutaneous symptoms in highly sensitized patients. Little is known about the persistence of isothiazolinones in clothes that have been washed. The aim of the study was to analyze the possible persistence of MI, MCI, benzisothiazolinone, and octylisothiazolinone in common fabrics after machine washing. Different clothes (cotton, polyester, linen, and wool) were collected, and 4 types of wash were done (control, standard, standard + conditioner, and standard + double rinse). The samples were analyzed using ultrahigh-performance liquid chromatog. The results showed that the concentrations of isothiazolinones were very low, independent of the type of material or wash. The highest levels were found in the control wash (hand wash), reaching a maximum of 0.4 ppm in the linen. Our findings suggest that it is not necessary to recommend that patients sensitized to MI avoid isothiazolinones in machine detergents or fabric conditioners or to double rinse. However, after using the detergent for hand washing (the control in our study), there may remain sufficient concentrations of isothiazolinones in clothes to produce symptoms in highly sensitized patients. In the experiment, the researchers used many compounds, for example, Isothiazol-3(2H)-one (cas: 1003-07-2Category: isothiazole).

Isothiazol-3(2H)-one (cas: 1003-07-2) belongs to isothiazole derivatives. Some representatives of isothiazoles have proven to be synergists of bioactive substances, which opens the way to lower the doses of drugs used and is especially important in cancer chemotherapy. It has been found that isothiazole-based compounds show synergistic effects when used with other biocidal compounds.Category: isothiazole

Referemce:
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

1,3-Dipolar cycloaddition of C-(2-thiazolyl)nitrones to chiral acrylates. Synthesis of enantiopure α-amino-2-alkylthiazoles and 5-formylpyrrolidin-2-ones was written by Tejero, Tomas;Dondoni, Alessandro;Rojo, Isabel;Merchan, Francisco L.;Merino, Pedro. And the article was included in Tetrahedron in 1997.COA of Formula: C13H19NO3S This article mentions the following:

The 1,3-dipolar cycloaddition of thiazolyl nitrones I (R¹ = PhCH₂, 4-MeOC₆H₄CH₂) with chiral acrylates, e.g., II, has been studied. The use of the Oppolzer’s camphor sultam as chiral inductor provided isoxazolidines, III with excellent regio- and diastereoselectivities and good asym. induction. The cycloadducts were converted into homochiral α-amino-2-alkylthiazoles and 5-(2-thiazolyl)-3-hydroxy-2-pyrrolidinones IV. The latter compounds were precursors of highly functionalized pyrrolidones by the aldehyde unmasking from the thiazole ring and subsequent reactions of the formyl group. In the experiment, the researchers used many compounds, for example, 1-((3aS,6R,7aR)-8,8-Dimethyl-2,2-dioxidohexahydro-1H-3a,6-methanobenzo[c]isothiazol-1-yl)prop-2-en-1-one (cas: 94594-91-9COA of Formula: C13H19NO3S).

1-((3aS,6R,7aR)-8,8-Dimethyl-2,2-dioxidohexahydro-1H-3a,6-methanobenzo[c]isothiazol-1-yl)prop-2-en-1-one (cas: 94594-91-9) belongs to isothiazole derivatives. Isothiazole is more toxic than pyridine. But the more substituted isothiazoles are usually far less toxic. 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.COA of Formula: C13H19NO3S

Referemce:
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

Stereoselective synthesis of tubuvaline methyl ester and tubuphenylalanine, components of tubulysins, tubulin polymerization inhibitors was written by Shibue, Taku;Hirai, Toshihiro;Okamoto, Iwao;Morita, Nobuyoshi;Masu, Hyuma;Azumaya, Isao;Tamura, Osamu. And the article was included in Tetrahedron Letters in 2009.Related Products of 94594-91-9 This article mentions the following:

Synthetic studies of two components of tubulysins, tubulin polymerization inhibitors are described. The highly stereoselective synthesis of tubuvaline Me ester I was accomplished by 1,3-dipolar cycloaddition of nitrone and acrylic acid derivatives as a key step. The synthesis of tubuphenylalanine II was conducted by an aldol reaction of a boron enolate of (S)-4-isopropyl-3-propionyl-2-oxazolidinone with aldehyde, readily prepared from phenylalanine, followed by Barton deoxygenation under radical conditions. In the experiment, the researchers used many compounds, for example, 1-((3aS,6R,7aR)-8,8-Dimethyl-2,2-dioxidohexahydro-1H-3a,6-methanobenzo[c]isothiazol-1-yl)prop-2-en-1-one (cas: 94594-91-9Related Products of 94594-91-9).

1-((3aS,6R,7aR)-8,8-Dimethyl-2,2-dioxidohexahydro-1H-3a,6-methanobenzo[c]isothiazol-1-yl)prop-2-en-1-one (cas: 94594-91-9) belongs to isothiazole derivatives. Isothiazoles and their saturated and/or oxygenated analogs play an important role in pharmaceutical research. The isothiazoles can be oxidized to the corresponding sulfoxides on treatment with peracids.Related Products of 94594-91-9

Referemce:
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

Study on the application of isothiazolinone stabilizer was written by Zhang, Bai-hong;Sun, Hui;Zhang, Chong;Li, Hong;Zhang, Yu;Wang, Kun-peng;Li, Jun-feng;Lu, Peng-cheng. And the article was included in Liaoning Huagong in 2019.Recommanded Product: 1003-07-2 This article mentions the following:

Isothiazolinone has been widely used in circulating cooling water system as an effective broad-spectrum fungicide. Due to the instability of isothiazolinone itself in the application, magnesium salt as stabilizer is usually added in I type products (14%). Application of isothiazolinone with magnesium salt as stabilizer in the closed water system can affect the total hardness of the water system. So bromine compound organic compounds as stabilizer have been developed, and the application of isothiazolinone with bromine compound organic compounds as stabilizer has no significant influence on the water quality parameters of the system, which is beneficial to the stable operation of the system. In the experiment, the researchers used many compounds, for example, Isothiazol-3(2H)-one (cas: 1003-07-2Recommanded Product: 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. It has been found that isothiazole-based compounds show synergistic effects when used with other biocidal compounds.Recommanded Product: 1003-07-2

Referemce:
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

An in Silico Method for Predicting Ames Activities of Primary Aromatic Amines by Calculating the Stabilities of Nitrenium Ions was written by Bentzien, Joerg;Hickey, Eugene R.;Kemper, Raymond A.;Brewer, Mark L.;Dyekjaer, Jane D.;East, Stephen P.;Whittaker, Mark. And the article was included in Journal of Chemical Information and Modeling in 2010.Synthetic Route of C7H6N2S This article mentions the following:

In this paper, the authors describe an in silico first principal approach to predict the mutagenic potential of primary aromatic amines. This approach is based on the so-called “nitrenium hypothesis”, which was developed by Ford et al. in the early 1990s. This hypothesis asserts that the mutagenic effect for this class of mols. is mediated through the transient formation of a nitrenium ion and that the stability of this cation is correlated with the mutagenic potential. Here the authors use quantum mech. calculations at different levels of theory (semiempirical AM1, ab initio HF/3-21G, HF/6-311G(d,p), and DFT/B3LYP/6-311G(d,p)) to compute the stability of nitrenium ions. When applied to a test set of 257 primary aromatic amines, the authors show that this method can correctly differentiate between Ames active and inactive compounds, and furthermore that it is able to rationalize and predict SAR trends within structurally related chem. series. For this test set, the AM1 nitrenium stability calculations are found to provide a good balance between speed and accuracy, resulting in an overall accuracy of 85%, and sensitivity and specificity of 91% and 72%, resp. The nitrenium-based predictions are also compared to the com. software packages DEREK, MULTICASE, and the MOE-Toxicophore descriptor. One advantage of the approach presented here is that the calculation of relative stabilities results in a continuous spectrum of activities and not a simple yes/no answer. This allows the authors to observe and rationalize subtle trends due to the different electrostatic properties of the organic mols. The authors’ results strongly indicate that nitrenium ion stability calculations should be used as a complementary approach to assist the medicinal chemist in prioritizing and selecting nonmutagenic primary aromatic amines during preclin. drug discovery programs. In the experiment, the researchers used many compounds, for example, Benzo[d]isothiazol-5-amine (cas: 53473-85-1Synthetic Route of C7H6N2S).

Benzo[d]isothiazol-5-amine (cas: 53473-85-1) belongs to isothiazole derivatives. Isothiazole is more toxic than pyridine. But the more substituted isothiazoles are usually far less toxic. Various penicillins and cephalosporins having an isothiazole ring system have shown considerable antibacterial efficacy against Gram-positive and Gram-negative bacteria.Synthetic Route of C7H6N2S

Referemce:
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

Total synthesis and determination of the absolute configuration of Rakicidin C was written by Han, Fangzhi;Liu, Guangju;Jin, Chaofan;Wang, Jinghan;Liu, Jianwei;Wang, Liang;Chen, Yue. And the article was included in Organic Letters in 2021.Electric Literature of C13H21NO3S This article mentions the following:

The absolute configuration of rakicidin C was predicted by comparison of optical rotation data and absolute configuration of APD-cyclic depsipeptides and further determined by total synthesis. The absolute configuration of five chiral centers was determined as 2R, 15R, 16R, 17S, and 19S. Our efficient route involves 19 longest linear steps with an overall yield of 1.49%. 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: 128947-19-3Electric Literature of C13H21NO3S).

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. 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.Electric Literature of C13H21NO3S

Referemce:
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com