66090-34-4

Upstream product

• 592-87-0 lead(II) thiocyanate 
• 586-75-4 4-chlorobenzoyl chloride 
• 1147550-11-5 ammonium thiocyanate 
• 333-20-0 potassium thioacyanate 
• 586-76-5 4-Bromobenzoic acid 
• 540-72-7 sodium thiocyanide 

Downstream Products

• 73747-42-9 (4-bromo-benzoyl)-thiocarbamic acid O-ethyl ester 
• 100540-94-1 N-(4-bromo-benzoyl)-N'-(2,4,6-tribromo-phenyl)-thiourea 
• 107455-86-7 N-(4-bromo-benzoyl)-N'-(4-hydroxy-phenyl)-thiourea 
• 111561-83-2 (4-bromo-benzoyl)-(carbazole-9-thiocarbonyl)-amine 
• 101167-38-8 N-(4-bromo-benzoyl)-N'-(4-dimethylamino-phenyl)-thiourea 
• 108010-79-3 N-(4-bromo-benzoyl)-N'-(4-nitro-phenyl)-thiourea 
• 59849-19-3 N-(4-bromobenzoyl)-N’-phenylthiourea 
• 107456-26-8 N-(4-bromo-benzoyl)-N'-(2-hydroxy-phenyl)-thiourea 
• 108013-27-0 1-(4-bromobenzoyl)-3-(3-methylphenyl)thiourea 
• 1520-32-7 C₁₀H₁₁BrN₂O₂S₂ 
• 128730-69-8 4-Bromo-N-[(2R,3S)-2-(4-methyl-benzoyl)-3-phenyl-aziridine-1-carbothioyl]-benzamide 
• 128730-72-3 N-[(2R,3S)-2-Benzoyl-3-(4-nitro-phenyl)-aziridine-1-carbothioyl]-4-bromo-benzamide 
• 76655-14-6 N-(4-bromobenzoyl)-N'-(ethoxycarbonylmethyl)thiourea 
• 84762-39-0 1-[2-(4-Bromo-phenyl)-6-phenyl-4-thioxo-4H-[1,3]oxazin-5-yl]-ethanone 

Relevant academic research and scientific papers

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.

Experimental and computational studies on ruthenium(ii) bis-diimine complexes of N, N ′-chelate ligands: The origin of changes in absorption spectra upon oxidation and reduction

This work presents an interpretation of the origin of changes in absorption spectra upon one-electron oxidation and reduction of two ruthenium polypyridyl complexes based on a combination of UV-Vis spectroelectrochemical experiments and theoretical calcul

Synthesis, kinetics and biological assay of some novel aryl bis-thioureas: A potential drug candidates for Alzheimer's disease

A new series of bis-thioureas (4a-4j) was synthesized and characterized through spectroscopic and elemental analysis. The synthesized compounds 4a-4j were subjected to acetylcholinesterase enzyme (AChE) inhibition activity and free radical scavenging activity. The results of AChE inhibition assay were found to be active in inhibiting the target enzyme with different IC50 values. Among all derivatives, the 4 g showed highly potent inhibition potential against AChE enzyme with IC50 value of 0.1761±0.00768 μM, which is several times better than the reference inhibitor neostigmine methylsulfate IC50 2.469±0.069 μM. The initial structure-activity relationship (SAR) of 4 g revealed dual hydrogen bonding ability (donor and acceptor). Moreover, the electronic environment around the aromatic ring also greatly influenced the enzyme inhibition of AChE. To further explore the newly synthesized AChE inhibitors, kinetic studies were carried out to determine the mode of inhibition and it was found to be competitive inhibition. Pharmacokinetic predictions (ADMET parameters) were also evaluated and compounds showed good lead-like potential with little hepatotoxic and no skin-sensitive effects. The molecular docking studies delineated the binding affinity of the ligands with target protein and showed docking scores in the range of -10.3 to -7.6 kcal/mol.

Synthesis and Spectral Characterization of New 2-(5-Aryl-4H-1,2,4-triazol-3-yl)-1H-isoindole-1,3(2H)-dione Derivatives

Abstract: A series of novel 2-(5-aryl-4H-1,2,4-triazol-3-yl)-1H-isoindole-1,3(2H)-diones were synthesized in three steps. In the first step, treatment of substituted benzoyl chlorides with ammonium thiocyanate gave the corresponding benzoyl isothiocyanate

Benzoylthioureas: Design, synthesis and antimycobacterial evaluation

Background: New drugs and strategies to treat tuberculosis (TB) are urgently needed. In this context, thiourea derivatives have a wide range of biological activities, including anti-TB. This fact can be illustrated with the structure of isoxyl, an old anti-TB drug, which has a thiourea as a pharmacophore group. Objective: The aim of this study is to describe the synthesis and the antimycobacterial activity of fifty-nine benzoylthioureas derivatives. Methods: Benzoylthiourea derivatives have been synthesized and evaluated for their activity against Mycobacterium tuberculosis using the MABA assay. After that, a structure-activity relationship study of this series of compounds has been performed. Results and Discussion: Nineteen compounds exhibited antimycobacterial activity between 423.1 and 9.6 μM. In general, we observed that the presence of bromine, chlorine and t-Bu group at the para-position in benzene ring plays an important role in the antitubercular activity of Series A. These substituents were fixed at this position in benzene ring and other groups such as Cl, Br, NO2 and OMe were introduced in the benzoyl ring, leading to the derivatives of Series B. In general, Series B was less cytotoxic than Series A, which indicates that the presence of a substituent at benzoyl ring contributes to an improvement in both antimycobacterial activity and toxicity profiles. Conclusion: Compound 4c could be considered a good prototype to be submitted to further structural modifications in the search for new anti-TB drugs, since it is 1.8 times more active than the first line anti-TB drug ethambutol and 0.65 times less active than isoxyl.

Design, Synthesis, and Insecticidal Activity of Novel Doramectin Derivatives Containing Acylurea and Acylthiourea Based on Hydrogen Bonding

Our recent investigation on the insecticidal activities of several doramectin derivatives preliminarily revealed that the presence of hydrogen bonds at the C4″ position of the molecule with target protein γ-aminobutyric acid (GABA) receptor was crucial for retaining high insecticidal activity. As a continuation of our research work on the development of new insecticides, two series of novel acylurea and acylthiourea doramectin derivatives were designed and synthesized. The bioassay results indicated that the newly synthesized compounds (5o, 5t, and 6t) exhibited higher insecticidal activity against diamondback moth, oriental armyworm, and corn borer than the control compounds doramectin, commercial avermectins, chlorbenzuron, and lead compound 3g in our laboratory. Specifically, compound 5t was identified as the most promising insecticide against diamondback moth, with a final mortality rate of 80.00% at the low concentration of 12.50 mg/L, showing approximately 7.75-fold higher potency than the parent doramectin (LC50 value of 48.1547 mg/L), 6.52-fold higher potency than commercial avermectins (LC50 value of 40.5507 mg/L), and 3.98-fold higher potency than compound 3g (LC50 value of 24.7742 mg/L). Additionally, molecular docking simulations revealed that compound 5t (2.17, 2.20, 2.56, and 2.83 ?) displayed stronger hydrogen-bond action in binding with the GABA receptor, better than that of compound 5o (1.64 and 2.15 ?) and compound 6t (2.20 and 2.31 ?) at the C4″ position. This work demonstrated that these compounds containing hydrogen-bond groups might contribute to the improvement of insecticidal activity and supply certain hints toward structure optimization design for the development of new insecticides.

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

Phosphine-free direct conversion of carboxylic acids into acyl isothiocyanates using various electrophilic halogenation reagents

In this study, the efficiency of some electrophilic halogen reagents including 2,4,6-trichloro-1,3,5-triazine, 2,4,4,6-tetrabromo-2,5-cyclohexadienone, 2-chloro-1-methylpyridinium iodide, N-bromosuccinimide, trichloroisocyanuric acid, and 1,3-dibromo-5,5-

Thiosemicarbazones and thiadiazines derived from fluorinated benzoylthioureas: Synthesis, crystal structure and anti-Trypanosoma cruzi activity

A series of thiosemicarbazones was obtained by condensation of halogenated N-(diethylaminothiocarbonyl)benzimidoyl chlorides (3b–3h) with 4,4-dimethyl-3-thiosemicarbazide. The activity of the halogenated compounds against the parasite Trypanosoma cruzi was evaluated and compared to the previously reported activity of the corresponding non-substituted thiosemicarbazone. It was found that the halogen-substitution enhances in most cases the anti-parasitic activity. The meta-fluorinated compound (4g) was identified as the most potent one (IC50= 9.0 μM, CC50 > 200 μM), having a selectivity index (SI = IC50/CC50), which is 4-times higher than that of the non-substituted compound. Slight modification of the reaction conditions employed for the synthesis of some of the benzoylthioureas 3a–3g led to the unexpected formation of novel halogenated 6-amino-1,3,5-thiadiazine-2-thiones.

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