• 1. Excited state potential energy surfaces and their interactions in FeIVO active sites
  Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
• 2. Evolution of cellulose into flexible conductive green electronics: a smart strategy to fabricate sustainable electrodes for supercapacitors
  Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
• 3. Estimation of activation energy for electroporation and pore growth rate in liquid crystalline and gel phases of lipid bilayers using molecular dynamics simulations?
  Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
• 4. Emerging investigator series: heterogeneous reactions of sulfur dioxide on mineral dust nanoparticles: from single component to mixed components?
  Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
• 5. Excellent peroxidase mimicking property of CuO/Pt nanocomposites and their application as an ascorbic acid sensor?
  Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506

Chemical Profile of 4-(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)phenol (CAS No. 1785368-57-1)

4-(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)phenol, identified by its CAS number 1785368-57-1, is a heterocyclic organic compound that has garnered significant attention in the field of pharmaceutical chemistry and medicinal research. This compound belongs to the pyrazole class, a heterocyclic structure known for its broad biological activity and utility in drug development. The presence of bromine and methyl substituents on the pyrazole ring, along with a hydroxyl group on the phenolic ring, contributes to its unique chemical properties and potential pharmacological effects.

The structural framework of 4-(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)phenol combines the aromaticity of the phenol moiety with the bioisosteric properties of pyrazole. Pyrazole derivatives are widely recognized for their role in modulating various biological pathways, including enzyme inhibition and receptor binding. The bromine atom at the 4-position of the pyrazole ring enhances electrophilicity, making it a versatile scaffold for further functionalization and drug design.

Recent advancements in medicinal chemistry have highlighted the potential of pyrazole-based compounds as scaffolds for developing novel therapeutic agents. Studies have demonstrated that modifications in the pyrazole core can significantly alter pharmacokinetic and pharmacodynamic properties, leading to improved drug efficacy and reduced side effects. The compound 4-(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)phenol has been explored in several preclinical studies for its potential applications in treating inflammatory diseases, cancer, and infectious disorders.

In particular, the phenolic hydroxyl group in 4-(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)phenol suggests its capability to engage in hydrogen bonding interactions with biological targets. This feature is particularly valuable in designing molecules that require precise binding to proteins or enzymes. The brominated pyrazole moiety may also serve as a handle for further chemical transformations, such as Suzuki-Miyaura cross-coupling reactions, which are commonly employed in constructing complex drug molecules.

One of the most compelling aspects of this compound is its reported activity against certain enzymatic targets associated with metabolic diseases. Emerging research indicates that derivatives of pyrazole can inhibit key enzymes involved in glucose metabolism and lipid synthesis. For instance, studies have shown that 4-(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)phenol and its analogs exhibit inhibitory effects on α-glucosidase and other glycosidases, making them promising candidates for treating diabetes and related metabolic disorders.

The dimethyl substitution on the pyrazole ring further fine-tunes the electronic properties of the molecule, influencing its solubility and metabolic stability. These structural features are critical for optimizing drug-like properties such as bioavailability and half-life. Computational modeling studies have been instrumental in understanding how these substituents affect molecular interactions with biological targets.

Another area of interest is the potential application of 4-(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)phenol in anti-cancer research. Pyrazole derivatives have shown promise as kinase inhibitors due to their ability to disrupt aberrant signaling pathways involved in tumor growth. Preclinical data suggest that this compound may selectively inhibit tyrosine kinases overexpressed in certain cancer cell lines. The bromine atom provides a site for covalent bond formation with target proteins, enhancing binding affinity.

The synthesis of 4-(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)phenol involves multi-step organic reactions that highlight its synthetic accessibility while maintaining structural complexity. Key synthetic strategies include condensation reactions to form the pyrazole core followed by bromination and methylation at specific positions. Advances in green chemistry have also been applied to improve yield and reduce waste during production.

Evaluation of 4-(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)phenol in cellular assays has revealed intriguing dose-dependent effects on various biological pathways. High-throughput screening (HTS) campaigns have identified submicromolar concentrations where this compound exhibits significant modulation of target enzymes without compromising cell viability. These findings underscore its potential as a lead compound for further optimization into clinical candidates.

The pharmacokinetic profile of 4-(4-Bromo-3,5-dimethyl-1H-pyrazol-1-ylophenol is another critical aspect under investigation. In vivo studies indicate moderate oral bioavailability coupled with reasonable tissue distribution. Metabolic stability assessments suggest that the compound undergoes biotransformation via cytochrome P450 pathways but does not form highly reactive intermediates.

Future directions for research on 4-(4-Bromo -3 , 5 -dimethyl - 1 H -py razo l - 1 - yl ) phen ol include exploring its role in neurodegenerative diseases such as Alzheimer's disease (AD). Preliminary data suggest that pyra zole derivatives can interact with amyloid-beta plaques , a hallmark pathological feature of AD . The hydroxyl group may facilitate interactions with amyloid-beta aggregates , offering a novel therapeutic approach against this debilitating condition.

The versatility of CAS No . 1785368 - 57 - 1 makes it an attractive scaffold for structure-based drug design (SBDD). By leveraging computational techniques such as molecular dynamics (MD) simulations , researchers can predict how small modifications will impact binding affinity without extensive experimental screening . This approach accelerates lead optimization by prioritizing compounds most likely to succeed based on predicted target interactions .

Collaborative efforts between academic institutions , pharmaceutical companies , an d biotechnology firms are essential to fully realize th e therapeutic potential o f this compoun d . Open science initiatives facilitate knowledge sharing while fostering innovation through interdisciplinary partnerships . Such collaborations enhance translational research efforts by bridging gaps between basic science an d clinical applications .

In conclusion, 4 -( 4 - Bromo - 3 , 5 - dim eth yl - 1 H - p y ra z ol - 1 - yl ) pheno l ( CAS No . 1785368 - 57 - 1 ) represents an exciting opportunity f or medicinal chemists an d pharmacologists alike . Its unique structural features , coupled w ith promising preclinical data , position it as a valuable starting point f or developing next-generation therapeutics targeting inflammation , cancer , metabolic diseases , an d neurodegeneration . Continued investigation into this compoun d holds great promise f or improving human health outcomes worldwide .

• 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
• 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
• 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
• 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
• 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
• 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
• 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
• 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
• 1449132-38-0(3-Fluoro-5-(2-fluoro-5-methylbenzylcarbamoyl)benzeneboronic acid)
• 2034271-14-0(2-(1H-indol-3-yl)-N-{[6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}acetamide)