Month: February 2023

Fate, toxicity and effect of triclocarban on the microbial community in wastewater treatment systems was written by Wang, Hao;Yun, Hui;Li, Minghan;Cui, Hanlin;Ma, Xiaodan;Zhang, Yanqing;Pei, Xuanyuan;Zhang, Liying;Shi, Ke;Li, Zhiling;Liang, Bin;Wang, Aijie;Zhou, Jizhong. And the article was included in Journal of Hazardous Materials in 2022.Computed Properties of C13H9Cl3N2O This article mentions the following:

Triclocarban (TCC), one of the typical antimicrobial agents, is a contaminant of emerging concern commonly found in high concentration in water environments. However, the fate and toxicity of TCC in wastewater treatment systems remain poorly understood. Here, we investigated how TCC impacts COD and inorganic nitrogen transformation in a hydrolytic anaerobic-anoxic/oxic process. In the anaerobic section, the transformation of TCC was dominated by reductive dechlorination and supplemented by two amid bonds hydrolysis. In the anoxic and oxic sections, the hydrolysis of amid bonds dominated. The toxicity was reduced after the treatment (IC₅₀ from 0.09 to 0.54). TCC inhibited NH⁺₄-N removal in the anaerobic section and led to the NO^–₃-N accumulation (2.84-4.13 mg/L) after treatment, with the abundance of N-removal bacteria decreased by 6%. Furthermore, the original ecol. niche was gradually replaced by TCC-resistant/degradative bacteria, formating new microbial modules to resist the TCC stress. Importantly, fourteen genera including Methanosaeta, Longilinea, Dokdonella and Mycobacterium as potential bioindicators warning TCC and its intermediates were proposed. Overall, this study provides new insights into the fate of TCC in biol. wastewater treatment systems and suggests a great importance for TCC control to ensure the health and resilience of ecosystems. In the experiment, the researchers used many compounds, for example, 1-(4-Chlorophenyl)-3-(3,4-dichlorophenyl)urea (cas: 101-20-2Computed Properties of C13H9Cl3N2O).

1-(4-Chlorophenyl)-3-(3,4-dichlorophenyl)urea (cas: 101-20-2) belongs to organic chlorides. An organic chloride is an organic compound containing at least one covalently bonded atom of chlorine. Their wide structural variety and divergent chemical properties lead to a broad range of names and applications. Alkanes and aryl alkanes may be chlorinated under free radical conditions, with UV light. However, the extent of chlorination is difficult to control.Computed Properties of C13H9Cl3N2O

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Synthesis and Characterization of Copper(I)-Cysteine Complex Supported on Magnetic Layered Double Hydroxide as an Efficient and Recyclable Catalyst System for Click Chemistry Using Choline Azide as Reagent and Reaction Medium was written by Pazoki, Farzane;Salamatmanesh, Arefe;Bagheri, Sepideh;Heydari, Akbar. And the article was included in Catalysis Letters in 2020.Formula: C8H9Cl This article mentions the following:

In this study, Fe₃O₄@LDH@cysteine-Cu(I) nanoparticles (LDH is layered double hydroxides) were designed as a novel and recyclable catalytic system and successfully synthesized. These nanoparticles showed high catalytic activity for preparation of the triazoles I (R¹ = H₂C:CH, Ph, 4-MeOC₆H₄, 4-O₂NC₆H₄CO, etc.; R² = HOCH₂, HO₂C, Ph, 1-hydroxycyclohexyl, etc.) through reaction of the alkynes R²C顚咰H with organic halides R¹CH₂X (X = Br, Cl) in the presence of choline azide as reagent and reaction medium. In addition, Fe₃O₄@LDH@cysteine-Cu(I) could be easily recovered and reused for five times without any significant loss in catalytic activity. In the experiment, the researchers used many compounds, for example, 1-(Chloromethyl)-3-methylbenzene (cas: 620-19-9Formula: C8H9Cl).

1-(Chloromethyl)-3-methylbenzene (cas: 620-19-9) belongs to organic chlorides. Organic chlorides can cause corrosion in pipelines, valves and condensers, and cause catalyst poisoning. The hydrocarbon processing industry (HPI) and others are affected by damage caused by these substances.While alkyl bromides and iodides are more reactive, alkyl chlorides tend to be less expensive and more readily available. Alkyl chlorides readily undergo attack by nucleophiles.Formula: C8H9Cl

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Design, synthesis and evaluation of sulfonylurea-containing 4-phenoxyquinolines as highly selective c-Met kinase inhibitors was written by Nan, Xiang;Jiang, Yi-Fan;Li, Hui-Jing;Wang, Jun-Hu;Wu, Yan-Chao. And the article was included in Bioorganic & Medicinal Chemistry in 2019.HPLC of Formula: 620-19-9 This article mentions the following:

Deregulation of receptor tyrosine kinase c-Met has been reported in human cancers and is considered as an attractive target for small mol. drug discovery. In this study, a series of 4-phenoxyquinoline derivatives bearing sulfonylurea moiety were designed, synthesized and evaluated for their c-Met kinase inhibition and cytotoxicity against tested four cell lines in vitro. The pharmacol. data indicated that most of the tested compounds showed moderate to significant potency as compared with foretinib, with the most promising compound 13x (c-Met kinase IC₅₀ = 1.98 nM) demonstrated relatively good selectivity vs. 10 other tyrosine kinases and remarkable cytotoxicities against HT460, MKN-45, HT-29 and MDA-MB-231 with IC₅₀ values of 0.055 渭M, 0.064 渭M, 0.16 渭M and 0.49 渭M, resp. The preliminary structure activity relationships indicated that a sulfonylurea moiety as linker as well as mono-EGWs (such as R₁ = 4-F) on the terminal Ph rings contributed to the antitumor activity. In the experiment, the researchers used many compounds, for example, 1-(Chloromethyl)-3-methylbenzene (cas: 620-19-9HPLC of Formula: 620-19-9).

1-(Chloromethyl)-3-methylbenzene (cas: 620-19-9) belongs to organic chlorides. Organochlorines are organic compounds having multiple chlorine atoms. They were the first synthetic pesticides that were used in agriculture. They are resistant to most microbial and chemical degradations. Aliphatic organochlorides are often alkylating agents as chlorine can act as a leaving group, which can result in cellular damage.HPLC of Formula: 620-19-9

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

2-(1-Adamantyl)-1-{4-[(2-chloro-9-isopropyl-9H-purin-6-yl)aminomethyl]phenyl}ethanone was written by Rouchal, Michal;Necas, Marek;Pires de Carvalho, Fabiana;Vicha, Robert. And the article was included in Acta Crystallographica, Section E: Structure Reports Online in 2009.Synthetic Route of C8H8Cl2N4 This article mentions the following:

The structure of the title compound, C₂₇H₃₂ClN₅O, consists of two crystallog. independent conformers differing slightly in all geometric parameters. Both contain nearly planar purine and benzene ring systems [maximum deviations of 0.046 (3) and 0.005 (2) 脜, resp.], the dihedral angles between them being 76.44 (6) and 82.39 (6)掳, and an adamantane cage consisting of three fused cyclohexane rings in almost ideal chair conformations, with C-C-C angles in the range 108.7 (2)-110.6 (2)掳. The carbonyl plane and the benzene ring are almost coplanar [dihedral angles of 6.43 (9) and 0.64 (8)掳 in the two conformers]. The crystal structure is stabilized by intermol. N-H…N interactions that link adjacent mols. into dimers and by some non-bonding contacts of the C-H…Cl type. Crystallog. data are given. In the experiment, the researchers used many compounds, for example, 2,6-Dichloro-9-isopropyl-9H-purine (cas: 203436-45-7Synthetic Route of C8H8Cl2N4).

2,6-Dichloro-9-isopropyl-9H-purine (cas: 203436-45-7) belongs to organic chlorides. Organic chlorides can cause corrosion in pipelines, valves and condensers, and cause catalyst poisoning. The hydrocarbon processing industry (HPI) and others are affected by damage caused by these substances. Alkyl chlorides readily react with amines to give substituted amines. Alkyl chlorides are substituted by softer halides such as the iodide in the Finkelstein reaction.Synthetic Route of C8H8Cl2N4

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Kinetics and mechanism of phosphotungstic acid catalyzed oxidation of citric acid by N-chlorosaccharin was written by Singh, Sanjay K.;Gujral, Harjeet;Kaur, Raman Deep;Arora, Monika;Kaur, Gurpreet;Gupta, H. D.. And the article was included in Journal of Chemical, Biological and Physical Sciences in 2012.Product Details of 14070-51-0 This article mentions the following:

The kinetics of oxidation of citric acid (CA) with N-chlorosaccharin (NCSA) in the presence of phosphotungstic acid (PTA) was measured at 293, 298, 303 and 308 K. The order with respect to NCSA is unity while with CA and PTA was fractional. The effects of temperature, composition of solvent medium and concentration of added mineral acid on the rate of reaction were also studied. The mechanism for the catalyzed oxidation probably proceeds through the formation of a ternary complex between PTA, CA and NCSA which is being decomposed and gives product in slow rate-determining step. In the experiment, the researchers used many compounds, for example, 2-Chlorobenzo[d]isothiazol-3(2H)-one 1,1-dioxide (cas: 14070-51-0Product Details of 14070-51-0).

2-Chlorobenzo[d]isothiazol-3(2H)-one 1,1-dioxide (cas: 14070-51-0) belongs to organic chlorides. Organochlorines stimulate the central nervous system and cause convulsions, tremor, nausea, and mental confusion. Examples are dichlorodiphenyltrichloroethane (DDT), chlordane, lindane, endosulfan, and dieldrin. Aliphatic organochlorides are often alkylating agents as chlorine can act as a leaving group, which can result in cellular damage.Product Details of 14070-51-0

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Synthesis of isothiocyanates by reaction of amines with phenyl chlorothionoformate via one-pot or two-step process was written by Li, Zheng-Yi;Ma, Hong-Zhao;Han, Chen;Xi, Hai-Tao;Meng, Qi;Chen, Xin;Sun, Xiao-Qiang. And the article was included in Synthesis in 2013.Electric Literature of C7H3Cl2NS This article mentions the following:

A facile and efficient synthesis of isothiocyanates from amines is described. This method involves the reaction of amines with Ph chlorothionoformate in the presence of solid NaOH by either a one-pot process or a two-step approach. The one-pot process is useful for preparing alkyl and electron-rich aryl isothiocyanates, whereas the two-step approach is more versatile, working very well not only for alkyl and electron-rich aryl isothiocyanates, but also for highly electron-deficient aryl and heterocyclic isothiocyanates. In the experiment, the researchers used many compounds, for example, 2,4-Dichlorophenylisothiocyanate (cas: 6590-96-1Electric Literature of C7H3Cl2NS).

2,4-Dichlorophenylisothiocyanate (cas: 6590-96-1) belongs to organic chlorides. Chlorination modifies the physical properties of hydrocarbons in several ways. These compounds are typically denser than water due to the higher atomic weight of chlorine versus hydrogen. Alkyl chlorides readily react with amines to give substituted amines. Alkyl chlorides are substituted by softer halides such as the iodide in the Finkelstein reaction.Electric Literature of C7H3Cl2NS

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Characterization of triclosan-induced hepatotoxicity and triclocarban-triggered enterotoxicity in mice by multiple omics screening was written by Song, Yuchen;Zhang, Cui;Lei, Hehua;Qin, Mengyu;Chen, Gui;Wu, Fang;Chen, Chuan;Cao, Zheng;Zhang, Ce;Wu, Mengjing;Chen, Xiaoyu;Zhang, Limin. And the article was included in Science of the Total Environment in 2022.COA of Formula: C13H9Cl3N2O This article mentions the following:

Triclosan (2,4,4-trichloro-2-hydroxydiphenyl ether, TCS) and triclocarban (3,4,4-trichloro-carbanilide, TCC) are two antimicrobial agents commonly used for personal care products. Previous studies primarily focused on resp. harmful effects of TCS and TCC. In terms of their structural similarities and differences, however, the structure-toxicity relationships on health effects of TCS and TCC exposure remain unclear. Herein, global 1H NMR-based metabolomics was employed to screen the changes of metabolic profiling in various biol. matrixes including liver, serum, urine, feces and intestine of mice exposed to TCS and TCC at chronic and acute dosages. Metagenomics was also applied to analyze the gut microbiota modulation by TCS and TCC exposure. Targeted MS-based metabolites quantification, histopathol. examination and biol. assays were subsequently conducted to supply confirmatory information on resp. toxicity of TCS and TCC. We found that oral administration of TCS mainly induced significant liver injuries accompanied with inflammation and dysfunction, hepatic steatosis fatty acids and bile acids metabolism disorders; while TCC exposure caused marked intestine injuries leading to striking disruption of colonic morphol., inflammatory status and intestinal barrier integrity, intestinal bile acids metabolism and microbial community. These comparative results provide novel insights into structure-dependent mechanisms of TCS-induced hepatotoxicity and TCC-triggered enterotoxicity in mice. In the experiment, the researchers used many compounds, for example, 1-(4-Chlorophenyl)-3-(3,4-dichlorophenyl)urea (cas: 101-20-2COA of Formula: C13H9Cl3N2O).

1-(4-Chlorophenyl)-3-(3,4-dichlorophenyl)urea (cas: 101-20-2) belongs to organic chlorides. Organochlorines are organic compounds having multiple chlorine atoms. They were the first synthetic pesticides that were used in agriculture. They are resistant to most microbial and chemical degradations. Alkanes and aryl alkanes may be chlorinated under free radical conditions, with UV light. However, the extent of chlorination is difficult to control.COA of Formula: C13H9Cl3N2O

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Novel synthesis of isoquinolin-3-ols was written by Ainscough, Martin A.;Temple, Arthur F.. And the article was included in Journal of the Chemical Society, Chemical Communications in 1976.Name: 2-(3-Methoxyphenyl)acetyl chloride This article mentions the following:

Cycloaddition reaction of phenacetyl chlorides with alkyl or aryl thiocyanates in the presence of SnCl4 gave 1-substituted isoquinolin-3-ols. E.g., PhCH2COCl with MeSCN in PhNO2 in the presence of SnCl4 gave 65% 1-methylthioisoquinolin-3-ol (I). In the experiment, the researchers used many compounds, for example, 2-(3-Methoxyphenyl)acetyl chloride (cas: 6834-42-0Name: 2-(3-Methoxyphenyl)acetyl chloride).

2-(3-Methoxyphenyl)acetyl chloride (cas: 6834-42-0) belongs to organic chlorides. Organochlorines are organic compounds having multiple chlorine atoms. They were the first synthetic pesticides that were used in agriculture. They are resistant to most microbial and chemical degradations. Aryl chlorides may be prepared by the Friedel-Crafts halogenation, using chlorine and a Lewis acid catalyst.Name: 2-(3-Methoxyphenyl)acetyl chloride

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

PTP-1B inhibitors: Cyclopenta[d][1,2]-oxazine derivatives was written by Cho, Sung Yun;Baek, Ji Yoen;Han, Sang Sub;Kang, Seung Kyu;Ha, Jae Du;Ahn, Jin Hee;Lee, Jae Don;Kim, Kwang Rok;Cheon, Hyae Gyeong;Rhee, Sang Dal;Yang, Sung Don;Yon, Gyu Hwan;Pak, Chwang Siek;Choi, Joong-Kwon. And the article was included in Bioorganic & Medicinal Chemistry Letters in 2006.Name: 3-Cyanobenzoyl chloride This article mentions the following:

A series of novel cyclopenta[d][1,2]-oxazine derivatives was prepared and evaluated for their inhibitory activity toward protein tyrosine phosphatase 1B (PTP-1B). Compound 6s (I)was found to be an inhibitor of PTP-1B with nanomolar IC₅₀ value and high level of selectivity over other recombinant phosphatases. In the experiment, the researchers used many compounds, for example, 3-Cyanobenzoyl chloride (cas: 1711-11-1Name: 3-Cyanobenzoyl chloride).

3-Cyanobenzoyl chloride (cas: 1711-11-1) belongs to organic chlorides. An organic chloride is an organic compound containing at least one covalently bonded atom of chlorine. Their wide structural variety and divergent chemical properties lead to a broad range of names and applications. Aliphatic organochlorides are often alkylating agents as chlorine can act as a leaving group, which can result in cellular damage.Name: 3-Cyanobenzoyl chloride

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

In vitro inhibition effect and structure-activity relationships of some saccharin derivatives on erythrocyte carbonic anhydrase I and II was written by Sonmez, Fatih;Bilen, Cigdem;Sumersan, Sinem;Gencer, Nahit;Isik, Semra;Arslan, Oktay;Kucukislamoglu, Mustafa. And the article was included in Journal of Enzyme Inhibition and Medicinal Chemistry in 2014.HPLC of Formula: 6590-96-1 This article mentions the following:

In this study, in vitro inhibitory effects of some saccharin derivatives on purified carbonic anhydrase I and II were investigated using CO₂ as a substrate. The results showed that all compounds inhibited the hCA I and hCA II enzyme activities. Among the compounds, 6-(p-tolylthiourenyl) saccharin (6m) was found to be the most active one for hCA I activity (IC₅₀ = 13.67 渭M) and 6-(m-methoxyphenylurenyl) saccharin (6b) was found to be the most active one for hCA II activity (IC₅₀ = 6.54 渭M). Structure-activity relationships (SARs) study showed that, generally, thiourea derivatives (6l-v) inhibited more hCA I and hCA II than urea derivatives (6a-k). All compounds (excluding 6c and 6r) have higher inhibitory activity on hCA II than on hCA I. In the experiment, the researchers used many compounds, for example, 2,4-Dichlorophenylisothiocyanate (cas: 6590-96-1HPLC of Formula: 6590-96-1).

2,4-Dichlorophenylisothiocyanate (cas: 6590-96-1) belongs to organic chlorides. Organic chlorides are compounds containing a carbon-chlorine bond, which are widely used in the oil field as a wax dissolver. The haloform reaction, using chlorine and sodium hydroxide, is also able to generate alkyl halides from methyl ketones, and related compounds. Chloroform was formerly produced thus.HPLC of Formula: 6590-96-1

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics