Month: February 2023

Chlorination of isothiazolinone biocides: kinetics, reactive species, pathway, and toxicity evolution was written by Wang, Wen-Long;Nong, Yu-Jia;Yang, Zheng-Wei;Wu, Qian-Yuan;Hubner, Uwe. And the article was included in Water Research in 2022.Name: Isothiazol-3(2H)-one This article mentions the following:

Due to the Covid-19 pandemic, the worldwide biocides application has been increased, which will eventually result in enhanced residuals in treated wastewater. At the same time, chlorine disinfection of secondary effluents and hospital wastewaters has been intensified. With respect to predicted elevated exposure in wastewater, the chlorination kinetics, transformation pathways and toxicity evolution were investigated in this study for two typical isothiazolinone biocides, methyl-isothiazolinone (MIT) and chloro-methyl-isothiazolinone (CMIT). Second-order rate constants of 0.13 M-1·s-1, 1.95 x 105 M-1·s-1 and 5.14 x 105 M-1·s-1 were determined for the reaction of MIT with HOCl, Cl2O and Cl2, resp., while reactivity of CMIT was around 1-2 orders of magnitude lower. While chlorination of isothiazolinone biocides at pH 7.1 was dominated by Cl2O-oxidation, acidic pH and elevated Cl- concentration favored free active chlorine (FAC) speciation into Cl2 and increased overall isothiazolinone removal. Regardless of the dominant FAC species, the elimination of MIT and CMIT resulted in an immediate loss of acute toxicity under all exptl. conditions, which was attributed to a preferential attack at the S-atom resulting in subsequent formation of sulfoxides and sulfones and eventually an S-elimination. However, chlorination of isothiazolinone biocides in secondary effluent only achieved <10% elimination at typical disinfection chlorine exposure 200 mg·L-1·min, but was predicted to be remarkably increased by acidizing solution to pH 5.5. Alternative measures might be needed to minimize the discharge of these toxic chems. into the aquatic environment. 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. Similar to other five-membered heterocycles, isothiazoles react with a wide range of electrophilic and nucleophilic reagents to form diverse products. It has been found that isothiazole-based compounds show synergistic effects when used with other biocidal compounds.Name: Isothiazol-3(2H)-one

Referemce:
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

Control effect of buspirone combined with atypical antipsychotics on schizophrenia was written by Liu, Fei;Liang, Xue-jun;Jin, Li-juan. And the article was included in Zhongguo Weisheng Gongchengxue in 2021.Reference of 146939-27-7 This article mentions the following:

Objective: To study the control effect of buspirone combined with atypical antipsychotics on schizophrenia. Methods: A total of 116 patients with schizophrenia who were admitted to our hospital from Jan. 2017 to Jan. 2018 were selected and randomly divided into the control group and the observation group, with 58 cases in each group. The control group was treated with atypical antipsychotics alone, while the observation group was treated with buspirone combined with atypical antipsychotics. In the study, the cognitive function, neg. symptoms, and serum biochem. indexes were compared between the two groups before and after treatment. Results: After treatment, the cognitive function scores and biochem. index levels in the observation group were higher than those in the control group, and the neg. symptom scale (SANS) in the observation group was lower than that in the control group, and the differences were statistically significant (all P < 0.05). Conclusion: Buspirone combined with atypical antipsychotics could more effectively improve cognitive function, relieve neg. symptoms and improve serum biochem. indexes in patients with schizophrenia, and the effect was ideal. 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. 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.Reference of 146939-27-7

Referemce:
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

Study on application of bactericide in petroleum pipeline was written by Gao, Rongsheng;Xu, Yanjun;Cheng, Feihu;Xie, Xin;Li, Hui;Zhang, Wei. And the article was included in Shiyou Huagong Yingyong in 2009.Recommanded Product: 1003-07-2 This article mentions the following:

Main factors affecting petroleum pipeline transportation, including bacterium, temperature, impurity, etc, were analyzed, then using isothiazoline to treat it was also proposed, and the experiment aimed at the bactericidal performance of the fixation bacterium and bacterioplankton. It induced bacterium anal. was carried out after the transportation of a batch of product every time, as well as sediment anal. and water anal. after oil transportation. The best result indicated that bactericide isothiazolone could kill various eutrophy bacteria, decrease the corrosion and biomembrane accumulation; and to the bacterium having higher germifuga, it could restrain the growth of bacteria. 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. Various penicillins and cephalosporins having an isothiazole ring system have shown considerable antibacterial efficacy against Gram-positive and Gram-negative bacteria.Recommanded Product: 1003-07-2

Referemce:
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

The use of vicinal twofold Heck reaction products in diastereoselective sequential Michael additions. A convenient access to enantiomerically pure six-ring annulated cispentacin derivatives was written by Voigt, Katharina;Lansky, Annegret;Noltemeyer, Mathias;de Meijere, Armin. And the article was included in Liebigs Annalen in 1996.Quality Control of 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:

The Pd-catalyzed coupling reactions of various acrylic acid derivatives with 1,2-dibromobenzene, 1,2,3-tribromobenzene, and 1,2-dibromocyclohexene yielded the corresponding diethenylarenes I (R = OMe, OCMe₃, OCH₂Ph, O-menthyl, O-camphorsultamyl; R¹ = H; R²R³, R⁴R⁵ = bond), triethenylarenes I [R = OMe, OCMe₃; R¹ = (E)-CH:CHCOR; R²R³, R⁴R⁵ = bond], and hexatrienes I (R = OMe, OCMe₃; R¹, R², R³, R⁴, R⁵ = H). Some of these compounds were converted to 1,2,3-trisubstituted trans,trans-indane- and tetrahydroindane derivatives by domino conjugate additions of N, C, and S nucleophiles. With PhCH₂NHSiMe₃ as an NH₃ equivalent, the relative configuration of all 3 newly formed stereogenic centers was controlled (d.e. >90%). With chiral non-racemic ammonia equivalent like benzyl[(S)-phenylethyl]amine and TMS-(R)-AMP, protected diastereomerically pure β-amino esters were obtained, which could easily be deprotected by standard methods to yield the enantiomerically pure β-amino acids II and III. 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: 94594-91-9Quality Control of 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. Isothiazoles and their saturated and/or oxygenated analogs play an important role in pharmaceutical research. 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.Quality Control of 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

Patch testing with serial dilutions of various isothiazolinones in patients hypersensitive to methylchloroisothiazolinone/methylisothiazolinone was written by Isaksson, Marlene;Gruvberger, Birgitta;Bruze, Magnus. And the article was included in Contact Dermatitis in 2014.COA of Formula: C3H3NOS This article mentions the following:

Background : In 2005, methylisothiazolinone (MI) on its own came into use as a preservative. Prior to that, MI was always present together with methylchloroisothiazolinone (MCI). Can the pattern of reactivity to the sep. active ingredients in allergic patients tell us something about the primary sensitizer Objectives : To investigate the potential pattern of cross-reactivity between the isothiazolinones tested, and to find the minimal elicitation concentration for each chem., in order to determine whether the primary sensitizer is MCI or MI. Methods : Patients reacting to MCI/MI and/or MI were addnl. patch tested with MCI/MI, MCI, MI, 2-n-octyl-4-isothiazolin-3-one (OIT) and 4,5-dichloro-2-n-octyl-4-isothiazolin-3-one (dichloro-OIT) in serial dilutions Results : Three different groups of reactors were seen. One group did not react to MI; another group reacted to both MCI and MI, but had higher patch test reactivity to MCI; and a third group reacted to both MCI and MI with very similar patch test reactivity, but reacted more often to OIT and dichloro-OIT. Conclusions : Patch testing with the active ingredients of MCI/MI in serial dilutions could give information on the primary sensitizer. In the experiment, the researchers used many compounds, for example, Isothiazol-3(2H)-one (cas: 1003-07-2COA of Formula: C3H3NOS).

Isothiazol-3(2H)-one (cas: 1003-07-2) 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: C3H3NOS

Referemce:
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

Effects of kathon, chemical used widely as microbicide on survival of two species of mosquitoes was written by He, Wen-Ze;Pan, Li-Long;Han, Wen-Hao;Abd-Rabou, Shaaban;Liu, Shu-Sheng;Wang, Xiao-Wei. And the article was included in Molecules in 2021.Synthetic Route of C3H3NOS This article mentions the following:

In recent decades, demands for novel insecticides against mosquitoes are soaring, yet candidate chems. with desirable properties are limited. Kathon is a broad-spectrum isothiazolinone microbicide, but other applications remain uncharacterized. First, we treated larvae of Culex quinquefasciatus and Aedes albopictus, two major mosquito vectors of human viral diseases, with Kathon at 15 mg/L (a concentration considered safe in cosmetic and body care products), and at lower concentrations, and found that Kathon treatment resulted in high mortality of larvae. Second, sublethal concentration of Kathon can cause significantly prolonged larval development of C. quinquefasciatus. Third, we explored the effects of two constituents of Kathon, chloromethylisothiazolinone (CMIT) and methylisothiazolinone (MIT), on the survival of larvae, and found that CMIT was the major toxic component. Further, we explored the mechanisms of action of Kathon against insect cells and found that Kathon reduces cell viability and ATP production but promotes the release of lactate dehydrogenase in Drosophila melanogaster S2 cells. Our results indicate that Kathon is highly toxic to mosquito larvae, and we highlight its potential in the development of new larvicides for mosquito control. 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. Isothiazole is a good solvent for many organic substances but should be used with caution because it is more toxic than pyridine. 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 C3H3NOS

Referemce:
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

Catalytic enantioselective synthesis of 3-substituted benzosultams via Corey-Bakshi-Shibata reduction of cyclic N-sulfonylimines was written by Enders, Dieter;Seppelt, Matthias. And the article was included in Synlett in 2011.Product Details of 62473-92-1 This article mentions the following:

The catalytic asym. synthesis of 3-substituted benzo-fused sultams I (R¹ = Me, Et, n-Bu, Ph; R² = H, Br) in good to excellent yields of 74-95% and enantiomeric excesses of 69-94% by the Corey-Bakshi-Shibata reduction of the corresponding cyclic N-sulfonylimines with catecholborane is reported. In the experiment, the researchers used many compounds, for example, 6-Bromobenzo[d]isothiazol-3(2H)-one 1,1-dioxide (cas: 62473-92-1Product Details of 62473-92-1).

6-Bromobenzo[d]isothiazol-3(2H)-one 1,1-dioxide (cas: 62473-92-1) belongs to isothiazole derivatives. Isothiazoles and their saturated and/or oxygenated analogs play an important role in pharmaceutical research. 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.Product Details of 62473-92-1

Referemce:
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

Metformin for early comorbid glucose dysregulation and schizophrenia spectrum disorders: a pilot double-blind randomized clinical trial was written by Agarwal, Sri Mahavir;Panda, Roshni;Costa-Dookhan, Kenya A.;MacKenzie, Nicole E.;Treen, Quinn Casuccio;Caravaggio, Fernando;Hashim, Eyesha;Leung, General;Kirpalani, Anish;Matheson, Kelly;Chintoh, Araba F.;Kramer, Caroline K.;Voineskos, Aristotle N.;Graff-Guerrero, Ariel;Remington, Gary J.;Hahn, Margaret K.. And the article was included in Translational Psychiatry in 2021.Reference of 146939-27-7 This article mentions the following:

Patients with schizophrenia have exceedingly high rates of metabolic comorbidity including type 2 diabetes and lose 15-20 years of life due to cardiovascular diseases, with early accrual of cardiometabolic disease. In this study, thirty overweight or obese (Body Mass Index (BMI) > 25) participants under 40 years old with schizophrenia spectrum disorders and early comorbid prediabetes or type 2 diabetes receiving antipsychotic medications were randomized, in a double-blind fashion, to metformin 1500 mg/day or placebo (2:1 ratio; n = 21 metformin and n = 9 placebo) for 4 mo. The primary outcome measures were improvements in glucose homeostasis (HbA1c, fasting glucose) and insulin resistance (Matsuda index-derived from oral glucose tolerance tests and homeostatic model of insulin resistance (HOMA-IR)). Secondary outcome measures included changes in weight, MRI measures of fat mass and distribution, symptom severity, cognition, and hippocampal volume Twenty-two patients (n = 14 metformin; n = 8 placebo) completed the trial. The metformin group had a significant decrease over time in the HOMA-IR (p = 0.043) and fasting blood glucose (p = 0.007) vs. placebo. There were no differences between treatment groups in the Matsuda index, HbA1c, which could suggest liver-specific effects of metformin. There were no between group differences in other secondary outcome measures, while weight loss in the metformin arm correlated significantly with decreases in s.c., but not visceral or hepatic adipose tissue. Our results show that metformin improved dysglycemia and insulin sensitivity, independent of weight loss, in a young population with prediabetes/diabetes and psychosis spectrum illness, that is at extremely high risk of early cardiovascular mortality. 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. 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.Reference of 146939-27-7

Referemce:
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

The Total Synthesis of (-)-Lemonomycin was written by Ashley, Eric R.;Cruz, Ernest G.;Stoltz, Brian M.. And the article was included in Journal of the American Chemical Society in 2003.Synthetic Route of C13H19NO3S This article mentions the following:

The first total synthesis of the novel glycosylated tetrahydroisoquinoline antitumor antibiotic (-)-Lemonomycin I has been accomplished. The highly convergent synthesis relies on a key asym. dipolar cycloaddition to set the stereochem. of the aglycon core, a Suzuki fragment coupling to connect the diazabicycle to the aryl subunit, and a stereoselective Pictet-Spengler reaction that incorporates the aminoglycoside subunit directly into the core structure without the need for late-stage glycosylation or protecting group manipulations. The novel aminoglycoside was prepared using a highly diastereoselective Felkin-controlled acetate aldol addition reaction to a threonine-derived ketone. 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. Similar to other five-membered heterocycles, isothiazoles react with a wide range of electrophilic and nucleophilic reagents to form diverse products. It has been found that isothiazole-based compounds show synergistic effects when used with other biocidal compounds.Synthetic Route of C13H19NO3S

Referemce:
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

Second-generation antipsychotics and pregnancy complications was written by Ellfolk, Maria;Leinonen, Maarit K.;Gissler, Mika;Lahesmaa-Korpinen, Anna-Maria;Saastamoinen, Leena;Nurminen, Marja-Leena;Malm, Heli. And the article was included in European Journal of Clinical Pharmacology in 2020.Safety of 5-(2-(4-(Benzo[d]isothiazol-3-yl)piperazin-1-yl)ethyl)-6-chloroindolin-2-one This article mentions the following:

To study if second-generation antipsychotic (S-GA) use during pregnancy is associated with an increased risk of pregnancy and neonatal complications. A population-based birth cohort study using national register data extracted from the “Drugs and Pregnancy” database in Finland, years 1996-2016. The sampling frame included 1,181,090 pregnant women and their singleton births. Women were categorized into three groups: exposed to S-GAs during pregnancy (n = 4225), exposed to first-generation antipsychotics (F-GAs) during pregnancy (n = 1576), and unexposed (no purchases of S-GAs or F-GAs during pregnancy, n = 21,125). Pregnancy outcomes in S-GA users were compared with those in the two comparison groups using multiple logistic regression models. Comparing S-GA users with unexposed ones, the risk was increased for gestational diabetes (adjusted odds ratio, OR 1.43; 95% CI 1.25-1.65), cesarean section (OR 1.35; 95% CI 1.18-1.53), being born large for gestational age (LGA) (OR 1.57; 95% CI 1.14-2.16), and preterm birth (OR 1.29; 95% CI 1.03-1.62). The risk for these outcomes increased further with continuous S-GA use. Infants in the S-GA group were also more likely to suffer from neonatal complications. Comparing S-GA users with the F-GA group, the risk of cesarean section and LGA was higher (OR 1.25, 95% CI 1.03-1.51; and OR 1.89, 95% CI 1.20-2.99, resp.). Neonatal complications did not differ between the S-GA and F-GA groups. Prenatal exposure to S-GAs is associated with an increased risk of pregnancy complications related to impaired glucose metabolism Neonatal problems are common and occur similarly in S-GA and F-GA users. 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: 146939-27-7Safety 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. 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.Safety of 5-(2-(4-(Benzo[d]isothiazol-3-yl)piperazin-1-yl)ethyl)-6-chloroindolin-2-one

Referemce:
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com