Heterocyclic Building Blocks-Isothiazole

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

Synthetic studies on the immunosuppressive agent FK-506: enantioselective synthesis of a C22-C34 fragment was written by Baker, Robert K.;Rupprecht, Kathleen M.;Armistead, David M.;Boger, Joshua;Frankshun, Robert A.;Hodges, Paul J.;Hoogsteen, Karst;Pisano, Judith M.;Witzel, Bruce E.. And the article was included in Tetrahedron Letters in 1998.Synthetic Route of C13H19NO3S This article mentions the following:

The C28-C32 cyclohexyl group of the natural product, FK-506 (I), was prepared enantioselectively from the iodolactone II by replacement of iodide with retention of configuration. The C27-C28 trisubstituted olefin was introduced stereoselectively via a classical aldol/elimination sequence employing titanium enolate methodol. Elaboration of this chem. has led to a synthesis of C22-C34 fragment III of the natural product. 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)prop-2-en-1-one (cas: 119944-89-7Synthetic Route of C13H19NO3S).

1-((3aR,6S,7aS)-8,8-Dimethyl-2,2-dioxidohexahydro-1H-3a,6-methanobenzo[c]isothiazol-1-yl)prop-2-en-1-one (cas: 119944-89-7) 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. 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.Synthetic Route of C13H19NO3S

Referemce:
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

Study on the formulation of stabilizer municipal sewage after treatment by membrane bioreactor was written by Zou, Haiming;Li, Fenru;Wang, Qingsheng;Zhao, Jianrong. And the article was included in Mo Kexue Yu Jishu in 2010.Formula: C3H3NOS This article mentions the following:

The formulated municipal sewage is used as circulating cooling water for power plant. In this paper, water treatment agent for power plants was selected by static experiment and dynamic simulated test. Mechanism of scaling and corrosion inhibition of compound drugs was studied. The results show that new effective scaling and corrosion inhibitor, named BF-2, is an excellent water treatment reagent and scaling inhibiting rate is 93.6% at the concentration of 10.0 mg/L, which show that it is feasible for domestic wastewater to reuse. The study can provides preference for reusing domestic wastewater treated for circulating cooling water of power plant. In the experiment, the researchers used many compounds, for example, Isothiazol-3(2H)-one (cas: 1003-07-2Formula: C3H3NOS).

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. The ring structure of isothiazole is incorporated into larger compounds with biological activity such as the pharmaceutical drugs ziprasidone and perospirone.Formula: C3H3NOS

Referemce:
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

Modeling mould growth on coated modified and unmodified wood substrates exposed outdoors was written by Gobakken, Lone Ross;Lebow, Patricia K.. And the article was included in Wood Science and Technology in 2010.Product Details of 1003-07-2 This article mentions the following:

Mold growth on coated wood is today a genuine challenge for house owners. Environmentally sound wooden facades with long service lives and acceptable appearance are desired. The objective in this study was to investigate the accumulated mold growth on 13 different wood substrates with 3 surface coating systems by identifying the factors that contribute to the variation and to predict future performance. A generalized linear mixed model was fit to the data with the anal. showing that coating and exposure time both had highly significant influences on mold growth. Further, wood substrate was significant, but comparatively less than coating and exposure time. A smaller coefficient for mold coverage in the beginning of the exposure period gave the panels with one of the coating systems, BAP, a delay in mold growth, and the extrapolated values for years 6-12 indicate a longer aesthetic service life than panels with the two other coating systems. Coated heartwood as wood type was less susceptible to mold growth than coated mixed wood and coated sapwood. Acetylated pine as wood substrate and aspen as wood species had lower resistance to mold growth than the other wood substrates and wood species, resp. In the experiment, the researchers used many compounds, for example, Isothiazol-3(2H)-one (cas: 1003-07-2Product Details of 1003-07-2).

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. It has been found that isothiazole-based compounds show synergistic effects when used with other biocidal compounds.Product Details of 1003-07-2

Referemce:
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

Long-lasting isothiazolinone-based biocide obtained by encapsulation in micron-sized mesoporous matrices was written by Mardones, Lucas E.;Legnoverde, Maria S.;Pereyra, Andrea M.;Basaldella, Elena I.. And the article was included in Progress in Organic Coatings in 2018.Product Details of 1003-07-2 This article mentions the following:

The physicochem. properties of the silicas (structure, textural properties) were evaluated by SEM, TEM, XRD and adsorption/desorption of N₂ in order to determine their ability to encapsulate, stabilize and subsequently release a com. biocide used for latex preservation (CMIT/MIT). CMIT/MIT consists of an aqueous solution of the active ingredients CMIT (5-chloro-2-methyl-4-isothiazolin-3-one) and MIT (2-methyl-4-isothiazolin-3-one), present in a CMIT/MIT: 3/1 wt ratio. MCF has less hindered diffusion caused by a short channel length, which facilitates the biocide access to the pores of the matrix. The long pore length of SBA-15 makes the diffusion of CMIT/MIT mixture more difficult. Biocide release tests in aqueous media indicated that the CMIT/MIT concentration in the leaching solution depends on the matrix nature, the smaller values being obtained when the ordered matrix was used. Addnl., biocide delivery could be delayed by increasing the working pH from 7 to 9. Results showed that biocide encapsulation allows maintaining a long-lasting release, even under alk. conditions (pH 9), at which the hydrolysis of non-supported CMIT occur. Several release tests at different temperature (318, 323 and 328 K), were carried out for 20 days at pH 7. The biocide loading after the tests was reflected in the IR spectra, and it has been corroborated that biocide encapsulation allows retarding the fast thermal decomposition of CMIT. In the experiment, the researchers used many compounds, for example, Isothiazol-3(2H)-one (cas: 1003-07-2Product Details of 1003-07-2).

Isothiazol-3(2H)-one (cas: 1003-07-2) 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 1003-07-2

Referemce:
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

High-yield synthesis of pyrrolidinyl PNA monomers was written by Merino, Pedro;Greco, Graziella;Tejero, Tomas;Chiacchio, Ugo;Corsaro, Antonino;Pistara, Venerando;Romeo, Giovanni. And the article was included in Tetrahedron Letters in 2011.Product Details of 94594-91-9 This article mentions the following:

Two monomers for the syntheses of conformationally restricted peptide nucleic acids were synthesized through a simple procedure, involving an asym. 1,3-dipolar cycloaddition chem. as a key step, from common starting materials in 3 and 5 steps, and 58.8% and 30.5% overall yields, resp. 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: 94594-91-9Product Details 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. Isothiazole is a good solvent for many organic substances but should be used with caution because it is more toxic than pyridine. 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.Product Details of 94594-91-9

Referemce:
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

Electro-kinetic washing of a soil contaminated with quinclorac and subsequent electro-oxidation of wash water was written by Vidal, J.;Baez, Maria E.;Salazar, R.. And the article was included in Science of the Total Environment in 2021.Related Products of 1003-07-2 This article mentions the following:

This work deals with the remediation of a soil that has been enriched with Quinclorac (QNC), one of the herbicides most used in Chile for weed control in rice fields. Quinclorac damages the microflora and macrofauna of soils and is toxic to some susceptible crops, which results in economic loses during crop rotation. Furthermore, Quinclorac a potential contaminant of water resources and soils, given its high mobility and persistence. This has created the need to lower its concentrations in soils intensively cultivated. In this study, an electro-kinetic soil washing system (EKSW) for mobilizing this pesticide in the soil was explored. The performance of this technol. was compared by assessing the effect of direct (DP) and reverse (RP) polarity during 15 days under potentiostatic conditions and applying an elec. field of 1 V cm-1 between electrodes. Among the main results, the highest removal of QNC was obtained through the EKSW-RP process, which also contributed to the prevention of acidity and alk. fronts in the soil, compared to the EKSW-DP system. In both cases, the highest accumulation of QNC occurred in the cathodic well by mobilizing the non-ionized contaminant through the electroosmotic flow (EOF) from anode to cathode. After the treatment with EKSW, the wash water accumulated in the anodic and cathodic wells, which contained an important concentration of pesticide, was subjected to electro-oxidation (EO) by applying different current densities (j). The high generation of •OH on the surface of a boron-doped diamond electrode (BDD) allowed for the complete degradation and mineralization of QNC and its major intermediate compounds to CO₂. The results of this study show that the application of both coupled stages in this type of remediation technologies would enable the removal of QNC from the soil without altering its chem. and phys. properties, constituting an environmentally friendly process. In the experiment, the researchers used many compounds, for example, Isothiazol-3(2H)-one (cas: 1003-07-2Related Products of 1003-07-2).

Isothiazol-3(2H)-one (cas: 1003-07-2) 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.Related Products of 1003-07-2

Referemce:
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com