Cas no 78572-48-2 (Isoquinolinium, 2-(2-amino-2-oxoethyl)-, chloride)

Isoquinolinium, 2-(2-amino-2-oxoethyl)-, chloride is a quaternary ammonium compound with a reactive isoquinolinium core functionalized by a 2-amino-2-oxoethyl group. This structure imparts unique physicochemical properties, making it useful in organic synthesis and pharmaceutical applications. The presence of the amide moiety enhances its solubility in polar solvents, while the positively charged isoquinolinium group facilitates interactions with anionic species. Its chloride counterion ensures stability and ease of handling. This compound is particularly valued for its potential as an intermediate in the development of bioactive molecules, including antimicrobial and antitumor agents. Its well-defined reactivity profile allows for precise modifications in synthetic pathways.
Isoquinolinium, 2-(2-amino-2-oxoethyl)-, chloride structure
78572-48-2 structure
Product Name:Isoquinolinium, 2-(2-amino-2-oxoethyl)-, chloride
CAS No:78572-48-2
MF:C11H11ClN2O
MW:222.67084145546
CID:534318
PubChem ID:12710923
Update Time:2025-10-06

Isoquinolinium, 2-(2-amino-2-oxoethyl)-, chloride Chemical and Physical Properties

Names and Identifiers

    • Isoquinolinium, 2-(2-amino-2-oxoethyl)-, chloride
    • 2-isoquinolin-2-ium-2-ylacetamide,chloride
    • 2-isoquinolin-2-ium-2-ylacetamide;chloride
    • AKOS030508427
    • DTXSID00507645
    • 2-(2-Amino-2-oxoethyl)isoquinolin-2-ium chloride
    • 78572-48-2
    • 2-(CARBAMOYLMETHYL)ISOQUINOLIN-2-IUM CHLORIDE
    • Inchi: 1S/C11H10N2O.ClH/c12-11(14)8-13-6-5-9-3-1-2-4-10(9)7-13;/h1-7H,8H2,(H-,12,14);1H
    • InChI Key: XUTSFIOGKXQLCO-UHFFFAOYSA-N
    • SMILES: [Cl-].O=C(C[N+]1C=CC2C=CC=CC=2C=1)N

Computed Properties

  • Exact Mass: 222.0559907g/mol
  • Monoisotopic Mass: 222.0559907g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 217
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 47?2

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Additional information on Isoquinolinium, 2-(2-amino-2-oxoethyl)-, chloride

Recent Advances in Isoquinolinium, 2-(2-amino-2-oxoethyl)-, chloride (CAS 78572-48-2) Research: A Comprehensive Review

Isoquinolinium, 2-(2-amino-2-oxoethyl)-, chloride (CAS 78572-48-2) is a chemical compound of significant interest in the field of chemical biology and pharmaceutical research. This compound, characterized by its isoquinolinium core and functionalized with a 2-amino-2-oxoethyl group, has been the subject of numerous studies due to its potential applications in drug discovery and development. Recent advancements in synthetic methodologies and biological evaluations have shed light on its promising pharmacological properties, making it a focal point for researchers aiming to explore novel therapeutic agents.

The primary objective of recent studies has been to elucidate the molecular mechanisms underlying the biological activities of Isoquinolinium, 2-(2-amino-2-oxoethyl)-, chloride. Researchers have employed a combination of in vitro and in vivo assays to investigate its interactions with various biological targets, including enzymes and receptors. Notably, its role as a modulator of key signaling pathways has been highlighted, suggesting potential applications in the treatment of diseases such as cancer, neurodegenerative disorders, and infectious diseases.

One of the key findings from recent research is the compound's ability to inhibit specific enzymes involved in disease progression. For instance, studies have demonstrated its efficacy in targeting protein kinases, which are often dysregulated in cancer. The compound's unique structural features enable it to bind selectively to the active sites of these enzymes, thereby disrupting their function and impeding tumor growth. These findings have been corroborated by molecular docking studies and kinetic analyses, providing a robust foundation for further drug development efforts.

In addition to its enzyme inhibitory properties, Isoquinolinium, 2-(2-amino-2-oxoethyl)-, chloride has also shown promise as an antimicrobial agent. Recent investigations have revealed its potent activity against a range of bacterial and fungal pathogens, including multidrug-resistant strains. The compound's mechanism of action appears to involve disruption of microbial cell membranes and interference with essential metabolic processes. These attributes make it a compelling candidate for the development of new antimicrobial therapies, particularly in the face of rising antibiotic resistance.

Another area of interest is the compound's potential neuroprotective effects. Preliminary studies have indicated that Isoquinolinium, 2-(2-amino-2-oxoethyl)-, chloride may mitigate oxidative stress and inflammation in neuronal cells, which are key contributors to neurodegenerative diseases such as Alzheimer's and Parkinson's. These effects are thought to be mediated through the compound's ability to scavenge reactive oxygen species and modulate inflammatory cytokine production. While further research is needed to fully understand these mechanisms, the initial results are highly encouraging.

The synthesis and optimization of Isoquinolinium, 2-(2-amino-2-oxoethyl)-, chloride have also seen significant progress. Recent reports describe improved synthetic routes that enhance yield and purity, making the compound more accessible for research and potential clinical applications. Advances in analytical techniques, such as high-performance liquid chromatography (HPLC) and mass spectrometry, have facilitated the characterization of the compound and its derivatives, enabling researchers to explore structure-activity relationships in greater detail.

Despite these promising developments, challenges remain in the translation of Isoquinolinium, 2-(2-amino-2-oxoethyl)-, chloride from the laboratory to the clinic. Issues such as bioavailability, toxicity, and formulation stability need to be addressed through comprehensive preclinical studies. Nevertheless, the compound's diverse biological activities and mechanistic insights position it as a valuable tool for both basic research and therapeutic innovation.

In conclusion, recent research on Isoquinolinium, 2-(2-amino-2-oxoethyl)-, chloride (CAS 78572-48-2) underscores its potential as a multifaceted agent in chemical biology and medicine. Its enzyme inhibitory, antimicrobial, and neuroprotective properties, coupled with advances in synthetic and analytical methodologies, highlight its relevance in addressing unmet medical needs. Future studies should focus on optimizing its pharmacological profile and exploring its therapeutic applications in greater depth.

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