Month: January 2023

4-4-(Anilinomethyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-1-ylbenzoic acid derivatives as potent anti-gram-positive bacterial agents was written by Hansa, Raj KC.;Khan, M. M. K.;Frangie, M. M.;Gilmore, D. F.;Shelton, R. S.;Savenka, A. V.;Basnakian, A. G.;Shuttleworth, S. L.;Smeltzer, M. S.;Alam, M. A.. And the article was included in European Journal of Medicinal Chemistry in 2021.Computed Properties of C6H4ClF2N This article mentions the following:

A collection of potent antimicrobials consisting of novel 1,3-bis-benzoic acid and trifluoromethyl Ph derived pyrazoles I [R = HO(O)C, F₃C; R¹ = Ph, 3-bromophenyl, 5-iodopyridin-2-yl, etc.] was synthesized and tested for antibacterial activity. The majority of trifluoromethyl Ph derivatives are highly potent growth inhibitors of Gram-pos. bacteria and showed low toxicity to human cultured cells. In particular, two compounds I [R = F₃C; R¹ = 3-fluoro-5-(trifluoromethyl)phenyl, 3,5-dichloro-4-fluorophenyl] were selected for addnl. studies. These compounds were highly effective against Staphylococcus aureus as shown by a low min. inhibitory concentration (MIC), a bactericidal effect in time-kill assays, moderate inhibition of biofilm formation as well as biofilm destruction and a bactericidal effect against stationary phase cells representing non-growing persister cells. Multistep resistance assays showed a very low tendency for S. aureus and Enterococcus faecalis to develop resistance through mutation. Addnl., in vivo mouse model studies showed no harmful effects at doses up to 50 mg/kg using 14 blood plasma organ toxicity markers or TUNEL assay in liver and kidney. Investigations into the mode of action by performing macromol. synthesis inhibition studies showed a broad range of inhibitory effects, suggesting targets that have a global effect on bacterial cell function. In the experiment, the researchers used many compounds, for example, 3-Chloro-2,4-difluoroaniline (cas: 2613-34-5Computed Properties of C6H4ClF2N).

3-Chloro-2,4-difluoroaniline (cas: 2613-34-5) 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. Aliphatic organochlorides are often alkylating agents as chlorine can act as a leaving group, which can result in cellular damage.Computed Properties of C6H4ClF2N

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

Electrochemical Sulfoxidation of Thiols and Alkyl Halides was written by Yu, Yi;Wu, Shao-Fen;Zhu, Xiao-Bin;Yuan, Yaofeng;Li, Zhen;Ye, Ke-Yin. And the article was included in Journal of Organic Chemistry in 2022.Synthetic Route of C8H9Cl This article mentions the following:

A green and efficient electrochem. sulfoxidation via the use of readily available materials, i.e., thiols and alkyl halides was reported. The simple operation, mild conditions and broad substrate scope render this protocol potentially applicable for the preparation of diverse synthetically significant sulfoxides RSOCH₂R¹ [R = i-Pr, 4-FC₆H₄, 4-ClC₆H₄, etc.; R¹ = (CH₂)₂CH₃, Ph, 3-MeOC₆H₄, etc.]. In the experiment, the researchers used many compounds, for example, 1-(Chloromethyl)-3-methylbenzene (cas: 620-19-9Synthetic Route of C8H9Cl).

1-(Chloromethyl)-3-methylbenzene (cas: 620-19-9) 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. Organochlorine compounds are lipophylic, meaning they are more soluble in fat than in water. This gives them a high tenancy to accumulate in the food chain (biomagnification).Synthetic Route of C8H9Cl

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

Green adsorption-desorption of mixed triclosan, triclocarban, 2-phenylphenol, bisphenol A and 4-tert-octylphenol using MXene encapsulated polypropylene membrane protected micro-solid-phase extraction device in amplifying the HPLC analysis was written by Rozaini, Muhammad Nur’ Hafiz;Kiatkittipong, Worapon;Saad, Bahruddin;Yahaya, Noorfatimah;Shaharun, Maizatul Shima;Sangu, Sangeetha Siva;Mohamed Saheed, Mohamed Shuaib;Wong, Yong Foo;Mohamad, Mardawani;Sambudi, Nonni Soraya;Lim, Jun Wei. And the article was included in Microchemical Journal in 2021.Formula: C13H9Cl3N2O This article mentions the following:

The endocrine disruptor compounds (EDC) are inevitable hazardous pollutants usually found in the discharged wastewater effluents, polluting the natural water bodies. This can be rationalised by the ineffective anal. methods that fail to quantify EDC in the treated wastewaters, forestalling the advancement of wastewater treatment processes that could completely mineralize the EDC. Therefore, a novel polypropylene membrane protected micro-solid-phase extraction (μ-SPE) device was developed using MXene encapsulated sorbent in enhancing the anal. of mixed EDC, namely, triclosan, triclocarban, 2-phenylphenol, bisphenol A and 4-tert-octylphenol, via a high-performance liquid chromatog.-diode array detector approach. The green adsorption-desorption of EDC from polypropylene membrane protected μ-SPE device was optimized at sorbent loading of 2 mg, extraction time of 30 min, sodium chloride of 15% (w/v), medium pH of 8, a sample volume of 10 mL, desorption solvent of isopropanol, desorption time of 3 min and desorption solvent volume of merely 150μL. Under the optimum condition, the proposed method showed a good EDC detection limit ranging from 0.37 to 0.58μg L^-1 with acceptable relative recoveries between 81.0% and 105.5%. Moreover, the calculated enrichment factors also confirmed the EDC selectivity by polypropylene membrane protected μ-SPE device followed triclosan > 4-tert-octylphenol > bisphenol A > triclocarban > 2-phenylphenol. Finally, the polypropylene membrane protected μ-SPE device was assessed using real water, and wastewater samples and the EDC of triclosan and 4-tert-octylphenol were detected in the municipal wastewater and lake water, resp. In the experiment, the researchers used many compounds, for example, 1-(4-Chlorophenyl)-3-(3,4-dichlorophenyl)urea (cas: 101-20-2Formula: 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. Aryl chlorides may be prepared by the Friedel-Crafts halogenation, using chlorine and a Lewis acid catalyst.Formula: C13H9Cl3N2O

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

Solvent-resistant polyimide aerogel film as ultrapermeable support for thin-film composite and covalent organic framework nanofiltration membranes was written by Hu, Jiahui;Kumar, Sushil;Hardian, Rifan;Yang, Cong;Szekely, Gyorgy. And the article was included in Separation and Purification Technology in 2022.Related Products of 4422-95-1 This article mentions the following:

Organic solvent nanofiltration (OSN) membranes require robust selective layers and support materials. In this study, polyamide and polyester thin-film composites (TFCs) and covalent organic frameworks (COFs) were fabricated as selective layers on a polyimide aerogel support. The ultrapermeable support was stable in various organic solvents including harsh polar aprotic solvents such as N,N-dimethylformamide (DMF), dimethylsulfoxide, N,N-dimethylacetamide, and N-methyl-2-pyrrolidone for more than six months. The support enabled fabricating both amorphous and crystalline selective layers at both room and higher temperatures Moreover, the polyimide aerogel support had 85% porosity, facilitating high solvent flux. The compatibility of the selective layers and support was excellent, and as low mol. weight cutoff values (MWCO) as 356 and as high as 591 g mol^-1 were obtained in methanol at 10 bar for the COFs and polyester TFC membranes, resp. Both exptl. MWCO and permeance values of the COF membrane agreed with those predicted using the pore flow model. The effect of the operating temperature on the OSN performance was examined in DMF at 20 and 100 °C. Both membranes demonstrated constant permeance and rejection for more than nine days of continuous filtration. In the experiment, the researchers used many compounds, for example, Trimesoylchloride (cas: 4422-95-1Related Products of 4422-95-1).

Trimesoylchloride (cas: 4422-95-1) 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. 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.Related Products of 4422-95-1

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

Structure-activity relationship around PI-2620 highlights the importance of the nitrogen atom position in the tricyclic core was written by Kroth, Heiko;Oden, Felix;Serra, Andreia Monica;Molette, Jerome;Mueller, Andre;Berndt, Mathias;Capotosti, Francesca;Gabellieri, Emanuele;Schmitt-Willich, Heribert;Hickman, David;Pfeifer, Andrea;Dinkelborg, Ludger;Stephens, Andrew. And the article was included in Bioorganic & Medicinal Chemistry in 2021.Reference of 76-83-5 This article mentions the following:

Tau aggregates represent a critical pathol. in Alzheimers disease (AD) and other forms of dementia. The extent of Tau neurofibrillary tangles across defined brain regions corresponds well to the observed level of cognitive decline in AD. Compound 1 (PI-2620) was recently identified as a promising Tau positron emission tomog. tracer for AD and non-AD tauopathies. To evaluate the impact of the N-atom position with respect to Tau- and off-target binding, tricyclic core analogs of PI-2620 with nitrogen atoms at different positions were prepared Affinity to aggregated Tau was evaluated using human AD brain homogenates, and their off-target binding was evaluated in a monoamine oxidase A (MAO-A) competition assay. The novel tricyclic core derivatives all displayed inferior Tau binding or MAO-A off-target selectivity, indicating PI-2620 to be the optimal design for high affinity binding to Tau and high MAO-A selectivity. In the experiment, the researchers used many compounds, for example, (Chloromethanetriyl)tribenzene (cas: 76-83-5Reference of 76-83-5).

(Chloromethanetriyl)tribenzene (cas: 76-83-5) 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.Reference of 76-83-5

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

Aromatic nucleophilic substitution. XI. Effect of meta substituents was written by Bevan, Cecil W. L.;Hirst, J.;Una, S. J.. And the article was included in Nigerian Journal of Science in 1966.Synthetic Route of C6H3ClFNO2 This article mentions the following:

Variation in the rates and log B factor in the Arrhenius equation K = BE-/RT are recorded and correlated largely with changes in activation energy. The compounds used are 3-(R-substituted)-5-nitrofluorobenzenes with methoxide ion in methanol, R being NH2, CO2-, Me3, tert-Bu, OMe3, H, Ac, F, I, Cl, Br, CF3, SO2Me, or NO2. OMe and NH2 groups induce deactivation whereas Ac induces (-T) effect in the mol. MeSO2 in the para position is 10 times less activating than the NO2 group in the identical position. The trifluoromethyl group is found to induce an inductive effect while the CO2- group is weakly deactivating from the ortho position. As expected the effect of halogens in the meta position is powerfully accelerating. 34 references. In the experiment, the researchers used many compounds, for example, 1-Chloro-3-fluoro-5-nitrobenzene (cas: 4815-64-9Synthetic Route of C6H3ClFNO2).

1-Chloro-3-fluoro-5-nitrobenzene (cas: 4815-64-9) 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. Aryl chlorides may be prepared by the Friedel-Crafts halogenation, using chlorine and a Lewis acid catalyst.Synthetic Route of C6H3ClFNO2

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

Studies on spasmolytics. III. Influence of structural changes in nitrogen-free esters with spasmolytic activity was written by Funcke, A. B. H.;Rekker, R. F.;Ernsting, M. J. E.;Nauta, W. Th.. And the article was included in Arzneimittel-Forschung in 1956.Application In Synthesis of Methyl 2-chloro-2-phenylacetate This article mentions the following:

The following esters of α-chlorophenylacetic acid were prepared from the acyl chloride and resp. alc. (b.°/mm., n_D²⁰ and yield in % are given): Me 123-6/11, 1.4963, 60; Et 132-3/15, 1.5037, 65; Pr 140-2/19, 1.5024, 55; iso-Pr 125-30/8, 1.5010, 55; Bu 143-5/8, 1.4960, 65; iso-Bu 135-40/8, 1.4958, 30; Am 143-5/11 1.5028, 79; 2-Me-1-Bu 144-6/11, 1.5028, 81; 3-Me-1-Bu 145-7/11, 1.5029, 55; 2,2-dimethylpropyl 141-3/11, 1.4983, 68; 2-pentyl 144-5/11, 1.5023, 78; 2-Me-2-Bu 148-50/12, m. 70-2°, 83; 3-Me-2-Bu 146-8/12, 1.5018, 90; 3-pentyl 144-5/11, 1.5035, 69; 3,3,5-trimethyl-1-cyclohexyl 140/0.04, 1.5135, 81. The lower esters of the series have a higher spasmolytic activity than the corresponding mandelates; as the number of C atoms in the ester group increases, however, this relation is inversed. The following esters of phenylglyoxylic acid have little or no spasmolytic activity: 2-Me-1-Bu 118/0.02, 1.5058, 53; 1-heptyl 128/0.03, 1.4980, 61; 2,6-dimethyl-4-heptyl 125/0.05, 1.4900, 55; 3,3,5-trimethyl-1-cyclohexyl 145/0.05, m. 43-4°, 77. In the experiment, the researchers used many compounds, for example, Methyl 2-chloro-2-phenylacetate (cas: 7476-66-6Application In Synthesis of Methyl 2-chloro-2-phenylacetate).

Methyl 2-chloro-2-phenylacetate (cas: 7476-66-6) 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. Alkanes and aryl alkanes may be chlorinated under free radical conditions, with UV light. However, the extent of chlorination is difficult to control.Application In Synthesis of Methyl 2-chloro-2-phenylacetate

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

Amidoxime prodrugs convert to potent cell-active multimodal inhibitors of the dengue virus protease was written by Swarbrick, Crystall;Zogali, Vasiliki;Chan, Kitti Wing Ki;Kiousis, Dimitrios;Gwee, Chin Piaw;Wang, Sai;Lescar, Julien;Luo, Dahai;von Itzstein, Mark;Matsoukas, Minos-Timotheos;Panagiotakopoulos, George;Vasudevan, Subhash G.;Rassias, Gerasimos. And the article was included in European Journal of Medicinal Chemistry in 2021.Synthetic Route of C7H4ClF3O2S This article mentions the following:

The flavivirus genus of the Flaviviridae family comprises Dengue, Zika and West-Nile viruses which constitute unmet medical needs as neither appropriate antivirals nor safe vaccines are available. The dengue NS2BNS3 protease is one of the most promising validated targets for developing a dengue treatment however reported protease inhibitors suffer from toxicity and cellular inefficacy. Here we report SAR on our previously reported Zika-active carbazole scaffold, culminating in prodrug compound SP-471P (EC₅₀ 1.10μM, CC₅₀ > 100μM) that generates SP-471 (I â†?II); one of the most potent, non-cytotoxic and cell-active protease inhibitors described in the dengue literature. In cell-based assays, SP-471P leads to inhibition of viral RNA replication and complete abolishment of infective viral particle production even when administered 6 h post-infection. Mechanistically, SP-471 appears to inhibit both normal intermol. protease processes and intramol. cleavage events at the NS2BNS3 junction, as well as at NS3 internal sites, all critical for virus replication. These render SP-471 a unique to date multimodal inhibitor of the dengue protease. In the experiment, the researchers used many compounds, for example, 3-(Trifluoromethyl)benzene-1-sulfonyl chloride (cas: 777-44-6Synthetic Route of C7H4ClF3O2S).

3-(Trifluoromethyl)benzene-1-sulfonyl chloride (cas: 777-44-6) belongs to organic chlorides. Organic chlorides can be used in production of: PVC, pesticides, chloromethane, teflon, insulators.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.Synthetic Route of C7H4ClF3O2S

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

Design, synthesis, and antibacterial activity of novel myricetin derivatives containing sulfonate was written by Su, Shijun;Zhou, Qing;Tang, Xuemei;Peng, Feng;Liu, Tingting;Liu, Liwei;Xie, Chengwei;He, Ming;Xue, Wei. And the article was included in Monatshefte fuer Chemie in 2021.Product Details of 777-44-6 This article mentions the following:

A series of myricetin derivatives containing sulfonate groups I (R = Ph, 2-chlorophenyl, 2-thienyl, etc.) was designed and synthesized. Preliminary antibacterial activity showed that most of the target compounds I exhibited significant biol. activities against Xanthomonas axonopodis pv. In particular, the EC₅₀ value of compound I (R = 4-nitrophenyl) was 13.76μg/cm³ against Xac, which was better than com. reagents bismerthiazol (50.32μg/cm³) and thiodiazole copper. (83.27μG/cm³), and the EC₅₀ value of compound I (3-chlorophenyl) was 11.92μg/cm³ against Xoo in vitro and the result was better than that of bismerthiazol (72.08μg/cm³) and thiodiazole copper (99.26μg/cm³). Compound I (R = 3-chlorophenyl) displayed the better in vivo activity against rice bacterial leaf blight than bismerthiazol and thiodiazole copper. Meanwhile, the antibacterial mechanism of compounds I (R = 4-nitrophenyl) and I (R = 3-chlorophenyl) was studied by scanning electron microscope (SEM). These results suggested that myricetin derivatives containing sulfonate I can be considered as new antibacterial reagents. In the experiment, the researchers used many compounds, for example, 3-(Trifluoromethyl)benzene-1-sulfonyl chloride (cas: 777-44-6Product Details of 777-44-6).

3-(Trifluoromethyl)benzene-1-sulfonyl chloride (cas: 777-44-6) 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. Alkanes and aryl alkanes may be chlorinated under free radical conditions, with UV light. However, the extent of chlorination is difficult to control.Product Details of 777-44-6

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

Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH was written by Singh, Vinayak;Pacitto, Angela;Donini, Stefano;Ferraris, Davide M.;Boros, Sandor;Illyes, Eszter;Szokol, Balint;Rizzi, Menico;Blundell, Tom L.;Ascher, David B.;Pato, Janos;Mizrahi, Valerie. And the article was included in European Journal of Medicinal Chemistry in 2019.Category: chlorides-buliding-blocks This article mentions the following:

In prior work, (cyclohexyl(4-(isoquinolin-5-ylsulfonyl)piperazin-1-yl)methanone) was identified and showed that its anti-tubercular activity is attributable to inhibition of inosine-5′-monophosphate dehydrogenase (IMPDH) in Mycobacterium tuberculosis. In the present study, the structure-activity relationship around (cyclohexyl(4-(isoquinolin-5-ylsulfonyl)piperazin-1-yl)methanone) was explored by synthesizing and evaluating the inhibitory activity of analogs against M. tuberculosis IMPDH in biochem. and whole-cell assays. X-ray crystallog. was performed to elucidate the mode of binding of selected analogs to IMPDH. The importance of the cyclohexyl, piperazine and isoquinoline rings was estabilished for activity and reported the identification of an analog with IMPDH-selective activity against a mutant of M. tuberculosis that is highly resistant to (cyclohexyl(4-(isoquinolin-5-ylsulfonyl)piperazin-1-yl)methanone). It was showed that the nitrogen in urea analogs is required for anti-tubercular activity and identify benzylurea derivatives as promising inhibitors that warrant further investigation. In the experiment, the researchers used many compounds, for example, 3-Cyanobenzoyl chloride (cas: 1711-11-1Category: chlorides-buliding-blocks).

3-Cyanobenzoyl chloride (cas: 1711-11-1) 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. 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.Category: chlorides-buliding-blocks

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