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• 1711-09-7 3-bromobenzoyl chloride 
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• 345647-27-0 C₁₆H₂₅BrO₂Si 
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• 139233-21-9 N?(1,3?benzothiazol?2?yl)?3?bromobenzamide 

Relevant academic research and scientific papers

Biologically active: Halo -substituted ferrocenyl thioureas: Synthesis, spectroscopic characterization, and DFT calculations

In our search for new therapeutic agents, ferrocene-based thioureas (M1-M9) were successively synthesized and characterized by various analytical techniques like FT-IR, Raman, CHNS, AAS, and multinuclear (1H and 13C) NMR. The interac

Staphylococcus aureus rnpa inhibitors: Computational-guided design, synthesis and initial biological evaluation

Antibiotic resistance is spreading worldwide and it has become one of the most important issues in modern medicine. In this context, the bacterial RNA degradation and processing machinery are essential processes for bacterial viability that may be exploited for antimicrobial therapy. In Staphylococcus aureus, RnpA has been hypothesized to be one of the main players in these mech-anisms. S. aureus RnpA is able to modulate mRNA degradation and complex with a ribozyme (rnpB), facilitating ptRNA maturation. Corresponding small molecule screening campaigns have recently identified a few classes of RnpA inhibitors, and their structure activity relationship (SAR) has only been partially explored. Accordingly, in the present work, using computational modeling of S. aureus RnpA we identified putative crucial interactions of known RnpA inhibitors, and we used this information to design, synthesize, and biologically assess new potential RnpA inhibitors. The present results may be beneficial for the overall knowledge about RnpA inhibitors belonging to both RNPA2000-like thiosemicarbazides and JC-like piperidine carboxamides molecular classes. We evaluated the importance of the different key moieties, such as the dichlorophenyl and the piperidine of JC2, and the semithiocarbazide, the furan, and the i-propylphenyl ring of RNPA2000. Our efforts could provide a foundation for further computational-guided investigations.

Synthesis, characterization and biological activity of some dithiourea derivatives

Novel dithiourea derivatives have been designed as HIV-1 protease inhibitors using Autodock 4.2, synthesized and characterized by spectroscopic methods and microanalysis. 1-(3-Bromobenzoyl)-3-[2-({[(3-bromophenyl)formami-do]methanethioyl}amino)phenyl]thio

Synthesis, spectroscopic investigation, and DFT study of: N, N ′-disubstituted ferrocene-based thiourea complexes as potent anticancer agents

In the present work, the synthesis, characterization (FT-IR, multinuclear (1H and 13C) NMR, AAS, Raman, and elemental analyses), DNA binding (cyclic voltammetry, UV-Vis spectroscopy), and in vitro biological screening of nine new fer

Synthesis and nematicidal activities of 1,2,3-benzotriazin-4-one derivatives containing thiourea and acylthiourea against Meloidogyne incognita

Two series of novel 1,2,3-benzotriazin-4-one derivatives containing thiourea and acylthiourea were designed and synthesized. The bioassay results showed that most of the test compounds showed good nematicidal activity against M. incognita at the concentration of 10.0?mg?L?1 in vivo. The compounds A13, A17 and B3 showed excellent nematicidal activity on the second stage juveniles of the root-knot nematode with the inhibition rate of 51.3%, 58.3% and 51.3% at the concentration of 1.0?mg?L?1 respectively. It suggested that the structure of 1,2,3-benzotriazin-4-one derivatives containing thiourea and acylthiourea could be optimized further.

Bioactivity of new ferrocene incorporated N,N′-disubstituted ureas: Synthesis, structural elucidation and DFT study

We report here the synthesis, structural characterization and biological assessment of three new ferrocene incorporated ureas (1-3). The synthesis of these complexes was accomplished by the deprotection of ferrocene-based thioureas to the corresponding oxo analogues using NaOH(aq) and mercuric chloride. The new ferrocenyl ureas were characterized by FT-IR, multinuclear (1H and 13C) NMR, AAS and elemental analysis. Furthermore, the single-crystal X-ray structure of compound 2 was also determined. The DNA binding potency of these ureas was evaluated by UV-Vis spectroscopy and cyclic voltammetry (CV). The three complexes interact electrostatically with DNA and have impressive binding constants ranging from 3.42 × 104 to 8.15 × 104 M-1. The diffusion coefficients of the drug-DNA adducts are lower than is that for the free drug indicating the formation of a high molecular weight complex that diffuses slowly towards the electrode. The small binding site size of 0.509 (1), 0.528 (2) and 0.473 (3) base pairs is also indicative of an electrostatic mode of interaction. The DFT calculated HOMO and LUMO energies correlate well with the experimentally determined redox potential values. The synthesized ureas (1-3) were screened for their antibacterial, antifungal and protein kinase inhibition potency. These compounds play a significant role in arresting microbial growth and are potent protein kinase inhibitors.

Reaction of stable trialkylsilyl esters with Ph3P(SCN)2: A novel method for the preparation of acyl and aroyl isothiocyanates under neutral condition

An efficient, mild and novel method is described for one-pot conversion of stable triisopropylsilyl- and tert-butyldimethylsilyl carboxylates to their corresponding acyl- or aroyl isothiocyanates using in-situ generation of Ph3P(SCN)2 at room temperature under neutral condition. This method has also been applied for the high yield preparation of 2-thioxo-3,4-dihydro-2H-1,3-benzoxazine-4-one, which has fungicidal and bactericidal activities.