 
                                
                                 
                                
                                
                                    Structure of Triclosan
                                    
                                    
CAS No.: 3380-34-5
                                    
                                
 
                                 
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                            The BI-3802 was designed by Boehringer Ingelheim and could be obtained free of charge through the Boehringer Ingelheim open innovation portal opnMe.com, associated with its negative control.
Triclosan is an antibacterial and antifungal agent present in some consumer products.
Synonyms: Irgasan; Cloxifenolum
 
                
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        					 *For Research Use Only !
        				
        				*For Research Use Only !
        			
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Yaneth Cardona ; Agnieszka Węgrzyn ; Paweł Miśkowiec ; Sophia A. Korili ; Antonio Gil ;
Abstract: The presence of emerging pollutants (EPs) in water is a major environmental concern. This study evaluates for the first time the removal of three EPs, namely triclosan (TCS), 2,6-dichlorophenol (2,6-DCP), and bisphenol A (BPA), 90 μmol/dm3, from water through both Fenton- and photo-Fenton-like reactions using montmorillonite (Mt) and aluminum interlayered pillared clays (Al-PILC) as catalytic supports. The catalysts (Fe2O3/TiO2/Mt and Fe2O3/TiO2/Al-PILC) were evaluated in single-component solutions and in an equimolar mixture. Two Al-PILC were synthesized from a hazardous waste, namely aluminum saline slag, using either the acid (Al-PILCAE) or the alkaline (Al-PILCBE) aluminum extract as precursors. The third Al-PILC was obtained by the conventional method using a commercial aluminum salt (Al-PILCCM). Catalytic supports were impregnated at 10 and 20 wt% titanium. Iron loadings from 1 to 20 wt% were tested for Mt, while only 20 wt% iron was tested for Al-PILC. All catalysts were characterized using several techniques and the results confirmed the formation of TiO2 and Fe2O3. Almost 100 % of TCS and 2,6-DCP were removed by both Fenton-like (240 and 420 min, respectively) and photo-Fenton-like reactions (30 and 90–120 min, respectively) using the Al-PILC based catalyst. The maximum removal for BPA was 80.14 ± 1.93 % after 120 min under photo-Fenton-like conditions using Al-PILCBE. The catalysts synthesized using the four catalytic supports showed good results for the removal of TCS by both processes, while for 2,6-DCP and BPA the best results were obtained using Al-PILCAE and Al-PILCBE as catalytic supports. Finally, a degradation pathway was suggested for every pollutant based on the by-products identified during the reactions by HPLC-MS. The results revealed that the materials used in this work are suitable catalysts for removing emerging pollutants from water by both Fenton- and photo-Fenton-like reactions.
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Keywords: Photo-Fenton-like reaction ; Alumina-pillared clay ; Catalyst ; Aluminum saline slag ; Organic pollutant
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                        Berg, Kaja ; Hegde, Pooja ; Pujari, Venugopal ; Brinkmann, Marzena ; Wilkins, David Z. ; Parish, Tanya , et al.
Abstract: The electron transport chain (ETC) in the cell membrane consists of a series of redox complexes that transfer electrons from electron donors to acceptors and couples this electron transfer with the transfer of protons (H+) across a membrane. This process generates proton motive force which is used to produce ATP and a myriad of other functions and is essential for the long-term survival of Mycobacterium tuberculosis (Mtb), the causative organism of tuberculosis (TB), under the hypoxic conditions present within infected granulomas. Menaquinone (MK), an important carrier molecule within the mycobacterial ETC, is synthesized de novo by a cluster of enzymes known as the classic/canonical MK biosynthetic pathway. MenA (1,4-dihydroxy-2-naphthoate prenyltransferase), the antepenultimate enzyme in this pathway, is a verified target for TB therapy. In this study, we explored structure-activity relationships of a previously discovered MenA inhibitor scaffold, seeking to improve potency and drug disposition properties. Focusing our campaign upon three molecular regions, we identified two novel inhibitors with potent activity against MenA and Mtb (IC50 = 13-22 μM, GIC50 = 8-10 μM). These analogs also displayed substantially improved pharmacokinetic parameters and potent synergy with other ETC-targeting agents, achieving nearly complete sterilization of Mtb in combination therapy within two weeks in vivo. These new inhibitors of MK biosynthesis present a promising new strategy to curb the continued spread of TB.
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Keywords: 1,4-dihydroxy-2-naphthoate prenyltransferase ; MenA ; MenA inhibitors ; Menaquinone ; Mtb ; Mycobacterium tuberculosis ; Piperidine derivatives ; SAR
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Purchased from AmBeed: 25952-53-8 ; 90719-32-7 ; 872-85-5 ; 6457-49-4 ; 3769-41-3 ; 10338-57-5 ; 135-19-3 ; 135-19-3 ; 28177-48-2 ; 22246-18-0 ; 122334-37-6 ; 91914-06-6 ; 10040-98-9 ; 161975-39-9 ; 150-76-5 ; 371-41-5 ; 63754-96-1 ; 288-32-4 ; 3380-34-5 ; 1677-46-9 ; 166815-96-9 ; 700-57-2 ; 1204-86-0 ; 21725-69-9 ; 367-12-4 ; 1003-29-8 ; 627-35-0 ; 27292-49-5 ; 104324-16-5 ; 123855-51-6 ; 180847-23-8 ; 4328-13-6 ; 875401-70-0 ; 405272-71-1 ; 63614-86-8 ; 1420942-13-7 ; 25952-53-8 ; 1420895-21-1 ; 1078-18-8 ; 32363-45-4 ; 69564-68-7 ; 31519-22-9 ; 22246-18-0 ; 189618-33-5 ; 180847-24-9 ; 6264-98-8 ; 946680-75-7 ; 63608-38-8 ; 713-68-8 ; 62810-39-3 ; 189618-32-4 ; 63608-31-1 ; 15789-05-6 ; 63712-27-6 ; 63608-33-3 ; 63608-35-5
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 from Mycobacterium tuberculosis.png) 
                        | CAS No. : | 3380-34-5 | 
| Formula : | C12H7Cl3O2 | 
| M.W : | 289.54 | 
| SMILES Code : | C1=CC(=CC(=C1OC2=CC=C(C=C2Cl)Cl)O)Cl | 
| Synonyms : | 
                                Irgasan; Cloxifenolum
                             | 
| MDL No. : | MFCD00800992 | 
| InChI Key : | XEFQLINVKFYRCS-UHFFFAOYSA-N | 
| Pubchem ID : | 5564 | 
| GHS Pictogram: |   | 
| Signal Word: | Warning | 
| Hazard Statements: | H302-H315-H319-H335 | 
| Precautionary Statements: | P261-P305+P351+P338 | 
Clinical Trial:
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| NCT02437578 | - | Active, not recruiting | April 2019 | Denmark ... More >> Dansk Fertilitetsklinik Frederiksberg, Denmark, 2000 Less << | |
| NCT01778868 | - | Unknown | July 2013 | Belgium ... More >> University Hospital Antwerp Edegem, Antwerpen, Belgium, 2650 Less << | |
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| NCT00830271 | Breast Cancer Surgery | Phase 4 | Completed | - | United Kingdom ... More >> Cardiff and Vale NHS Trust Cardiff, Wales, United Kingdom, CF14 4XN Less << | 
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| NCT01014143 | - | Completed | - | - | |
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| NCT00941668 | - | Completed | - | - | |
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| NCT00762853 | Dental Plaque | Phase 3 | Completed | - | Thailand ... More >> Mahidol University Bangkok, Bangkok 10110, Thailand Less << | 
| NCT01762904 | Infectious Diseases | Phase 3 | Completed | - | Mexico ... More >> University of Guanajuato Leon, Guanajuato, Mexico, 37000 Less << | 
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| NCT01762904 | - | Completed | - | - | |
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| NCT03763279 | Surgical Site Infection | Phase 3 | Not yet recruiting | March 31, 2019 | - | 
| NCT02018289 | Surgical Site Infection | Phase 3 | Completed | - | Spain ... More >> General University Hospital Elche Elche, Alicante, Spain, 03203 Less << | 
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| NCT03246776 | Chronic Hand Eczema | Phase 4 | Completed | - | China, Beijing ... More >> Friendship Hospital Beijing, Beijing, China, 100000 Less << | 
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| NCT01869257 | Colorectal Resection | Phase 3 | Completed | - | Italy ... More >> San Gerardo Hospital Monza, Italy, 20900 Less << | 
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| Bio Calculators | ||||
| Preparing Stock Solutions |  | 1mg | 5mg | 10mg | 
| 1 mM 5 mM 10 mM | 3.45mL 0.69mL 0.35mL | 17.27mL 3.45mL 1.73mL | 34.54mL 6.91mL 3.45mL | |