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  Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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• Solvents and Organic Chemicals Organic Compounds Benzenoids Benzene and substituted derivatives Benzenesulfonamides

Introduction to 2-{4-(4-Iodophenyl)sulfonylpiperazino}-1-ethanol (CAS No. 941256-92-4)

2-{4-(4-Iodophenyl)sulfonylpiperazino}-1-ethanol is a sophisticated organic compound characterized by its unique structural framework, which combines a piperazine moiety with a sulfonyl group and an iodophenyl substituent. This compound, identified by its Chemical Abstracts Service (CAS) number 941256-92-4, has garnered significant attention in the field of medicinal chemistry due to its potential applications in drug discovery and development. The presence of the iodine atom in the phenyl ring enhances its reactivity, making it a valuable intermediate in synthetic chemistry and a candidate for further derivatization to yield bioactive molecules.

The sulfonylpiperazine core of this compound is particularly noteworthy, as piperazine derivatives are widely recognized for their pharmacological properties. These derivatives often exhibit activity as kinase inhibitors, antipsychotics, and antihistamines, among other therapeutic applications. The introduction of a sulfonyl group at the 4-position of the piperazine ring further modulates its pharmacokinetic and pharmacodynamic profiles, potentially enhancing binding affinity and selectivity. This structural motif has been extensively explored in recent years, with studies demonstrating its utility in modulating various biological pathways.

Recent advancements in computational chemistry and molecular modeling have facilitated a deeper understanding of the interactions between 2-{4-(4-Iodophenyl)sulfonylpiperazino}-1-ethanol and biological targets. Researchers have leveraged these tools to predict how modifications to the iodophenyl ring or the sulfonylpiperazine moiety could optimize drug-like properties such as solubility, metabolic stability, and cell permeability. Such insights are crucial for designing next-generation therapeutics with improved efficacy and reduced side effects.

The iodine atom in the phenyl ring not only contributes to the compound's reactivity but also opens up possibilities for cross-coupling reactions, such as Suzuki-Miyaura coupling, which are widely employed in medicinal chemistry for constructing complex molecular architectures. These reactions allow for the introduction of diverse functional groups at specific positions, enabling fine-tuning of the compound's biological activity. The versatility of this approach has been highlighted in several recent publications, where novel sulfonamide-based drugs have been developed through strategic modifications of similar scaffolds.

In the context of drug discovery, 2-{4-(4-Iodophenyl)sulfonylpiperazino}-1-ethanol serves as a versatile building block that can be further functionalized to produce lead compounds targeting various diseases. For instance, researchers have investigated its potential as an inhibitor of cyclin-dependent kinases (CDKs), which are implicated in cancer progression. By modifying the ethanolic side chain or introducing additional substituents, it may be possible to enhance its inhibitory activity against specific CDK isoforms while minimizing off-target effects.

The compound's unique structural features also make it an attractive candidate for studying structure-activity relationships (SAR). By systematically varying one or more substituents while keeping others constant, scientists can dissect how different parts of the molecule contribute to its overall biological activity. This approach has been instrumental in developing high-affinity ligands for neurotransmitter receptors, such as serotonin and dopamine receptors, which play critical roles in neurological disorders.

From a synthetic chemistry perspective, 2-{4-(4-Iodophenyl)sulfonylpiperazino}-1-ethanol exemplifies the importance of heterocyclic compounds in modern drug design. The combination of nitrogen-containing heterocycles with sulfur-based functional groups often yields molecules with enhanced bioactivity and selectivity. Recent studies have demonstrated that such compounds can exhibit dual functionality, interacting with multiple targets simultaneously—a strategy that has gained traction in treating complex diseases like cancer and neurodegenerative disorders.

The growing interest in iodinated aromatic compounds stems from their broad range of applications beyond pharmaceuticals. These compounds are also used in materials science, particularly in organic electronics and luminescent materials. The ability to precisely control their electronic properties through substitution patterns makes them valuable for developing advanced technologies. In medicinal chemistry, however, their primary appeal lies in their role as intermediates for synthesizing bioactive molecules with improved pharmacological profiles.

Future research directions may focus on exploring the metabolic fate of 2-{4-(4-Iodophenyl)sulfonylpiperazino}-1-ethanol to better understand how it is processed within living systems. Techniques such as mass spectrometry and nuclear magnetic resonance (NMR) spectroscopy can provide detailed insights into its degradation pathways and active metabolites. This information is essential for predicting potential toxicity and optimizing dosing regimens in clinical settings.

Additionally, computational methods like molecular dynamics simulations can help predict how this compound interacts with biological membranes and transporters. Such simulations are increasingly used to assess drug candidates for their ability to cross cell membranes efficiently—a critical factor for oral bioavailability. By integrating experimental data with computational predictions, researchers can accelerate the drug discovery process and reduce attrition rates during preclinical development.

The synthesis of 2-{4-(4-Iodophenyl)sulfonylpiperazino}-1-ethanol itself presents challenges that highlight the ingenuity required in medicinal chemistry. Multi-step synthetic routes often involve delicate manipulations to ensure regioselectivity and yield optimization. Recent advances in catalytic methods have made it possible to achieve these transformations more efficiently than ever before, reducing reliance on hazardous reagents and improving sustainability.

In conclusion,2-{4-(4-Iodophenyl)sulfonylpiperazino}-1-ethanol (CAS No. 941256-92-4) is a promising compound with significant potential in pharmaceutical research. Its unique structural features—particularly the combination of a sulfonylpiperazine core with an iodophenyl substituent—make it a valuable tool for developing novel therapeutics targeting various diseases. As our understanding of molecular interactions continues to evolve through interdisciplinary approaches combining experimental chemistry with computational modeling, this compound will likely play an increasingly important role in future drug discovery efforts.

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• 864759-45-5(Benzenesulfonamide,3-iodo-N-[2-(4-morpholinyl)ethyl]-, hydrochloride (1:1))
• 16017-63-3(2-4-(Phenylsulfonyl)piperazino-1-ethanol)
• 331845-78-4(2-{4-(4-Fluorophenyl)SulfonylPiperazino}-1-Ethanol)
• 66739-87-5(1-methyl-4-(phenylsulfonyl)piperazine)
• 16017-64-4(2-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]ethan-1-ol)
• 7250-99-9(1,4-bis(benzenesulfonyl)piperazine)
• 14172-55-5(1-(benzenesulfonyl)piperazine)
• 16017-65-5(2-{4-(4-Chlorophenyl)sulfonylpiperazino}-1-ethanol)
• 433688-20-1(4-iodo-N-2-(morpholin-4-yl)ethylbenzene-1-sulfonamide)