• 1. An investigation on the second-order nonlinear optical response of cationic bipyridine or phenanthroline iridium(iii) complexes bearing cyclometallated 2-phenylpyridines with a triphenylamine substituent?
  David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
• 2. An anti-leakage liquid metal thermal interface material
  Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
• 3. An integrated digital microfluidic chip for multiplexed proteomic sample preparation and analysis by MALDI-MS?
  Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
• 4. An atom efficient route to N-aryl and N-alkyl pyrrolines by transition metal catalysis?
  Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
• 5. An intramolecular tryptophan-condensation approach for peptide stapling?
  Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392

Professional Introduction to 1-(isoquinolin-1-yl)ethan-1-one (CAS No. 58022-21-2)

1-(isoquinolin-1-yl)ethan-1-one, identified by the Chemical Abstracts Service Number (CAS No.) 58022-21-2, is a significant compound in the realm of pharmaceutical chemistry and medicinal research. This heterocyclic ketone, featuring an isoquinoline moiety linked to an acetyl group, has garnered considerable attention due to its versatile structural framework and potential biological activities. The isoquinoline scaffold, a prominent aromatic system in natural products and bioactive molecules, contributes to the compound's unique electronic and steric properties, making it a valuable scaffold for drug discovery and molecular design.

The structural motif of 1-(isoquinolin-1-yl)ethan-1-one positions it as a key intermediate in synthesizing more complex pharmacophores. Its utility extends across multiple domains, including the development of novel therapeutic agents, ligands for enzyme inhibition, and probes for biochemical pathways. The presence of both electron-rich and electron-deficient regions within the molecule allows for diverse functionalization strategies, enabling chemists to tailor its properties for specific applications.

In recent years, the pharmaceutical industry has shown increasing interest in isoquinoline derivatives due to their demonstrated efficacy in modulating various biological targets. 1-(isoquinolin-1-yl)ethan-1-one has been explored as a precursor in synthesizing molecules with potential applications in oncology, neurology, and anti-inflammatory therapies. For instance, studies have highlighted its role in generating derivatives that exhibit inhibitory effects on kinases and other enzymes implicated in disease progression. The compound's ability to interact with biological macromolecules via hydrogen bonding and hydrophobic interactions further enhances its appeal as a building block in medicinal chemistry.

The synthesis of 1-(isoquinolin-1-yl)ethan-1-one typically involves multi-step organic transformations, often starting from readily available isoquinoline derivatives. Advanced synthetic methodologies, such as palladium-catalyzed cross-coupling reactions and transition-metal-mediated functionalizations, have been employed to achieve high yields and regioselectivity. These synthetic advances have not only simplified the preparation of the compound but also opened avenues for exploring its structural analogs with enhanced pharmacological profiles.

From a computational chemistry perspective, the molecular dynamics and electronic structure of 1-(isoquinolin-1-yl)ethan-1-one have been extensively studied using density functional theory (DFT) and other quantum mechanical methods. These studies provide insights into its reactivity, binding affinities, and interaction modes with biological targets. Such computational analyses are instrumental in guiding experimental efforts by predicting optimal conditions for synthesis and suggesting modifications for improved bioactivity.

Moreover, the pharmacological evaluation of 1-(isoquinolin-1-yl)ethan-1-one has revealed intriguing properties that warrant further investigation. Preclinical studies have demonstrated its potential as an antioxidant agent, owing to its ability to scavenge reactive oxygen species and protect against oxidative stress-induced damage. Additionally, its interaction with microsomal enzymes has been examined to assess its metabolic stability and potential drug-drug interactions. These findings underscore the compound's significance as a lead molecule in developing novel therapeutics.

The growing body of research on 1-(isoquinolin-1-yl)ethan-1-one underscores its potential as a versatile tool in chemical biology and drug discovery. As synthetic techniques continue to evolve and our understanding of molecular interactions deepens, this compound is poised to play an increasingly pivotal role in shaping future therapeutic strategies. Continued exploration into its derivatives and mechanisms of action will likely yield groundbreaking advancements in medicine.

• 59576-26-0(1-(4-methylpyridin-2-yl)ethan-1-one)
• 1011-47-8(1-(Quinolin-2-yl)ethanone)
• 73607-00-8(1-(2,7-naphthyridin-3-yl)-Ethanone)
• 6940-57-4(1-(6-methyl-2-pyridyl)ethanone)
• 1122-62-9(1-(pyridin-2-yl)ethan-1-one)
• 1129-30-2(2,6-Diacetylpyridine)
• 16576-23-1(1-benzoylisoquinoline)
• 4264-35-1(2-Acetylindole)
• 20857-21-0(2-Pyridinecarboxaldehyde,6-acetyl-)
• 30440-88-1(Ethanone,1-(pyridinyl)-)