Cas no 312505-10-5 (Ethanone,1-(1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)-)

Ethanone,1-(1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)- is a heterocyclic compound featuring a fused pyridoindole scaffold with a ketone functional group. This structure imparts versatility in synthetic and medicinal chemistry applications, particularly as an intermediate in the development of bioactive molecules. Its rigid polycyclic framework enhances binding affinity to biological targets, making it valuable for pharmaceutical research. The compound's stability and reactivity under controlled conditions allow for selective modifications, facilitating the synthesis of derivatives with tailored properties. Its well-defined molecular architecture also supports studies in structure-activity relationships (SAR) for drug discovery. Suitable for controlled reactions, it is commonly handled under inert conditions to preserve integrity.
Ethanone,1-(1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)- structure
312505-10-5 structure
Product Name:Ethanone,1-(1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)-
CAS No:312505-10-5
MF:C13H14N2O
MW:214.263062953949
CID:300758
PubChem ID:648697
Update Time:2025-05-19

Ethanone,1-(1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)- Chemical and Physical Properties

Names and Identifiers

    • Ethanone,1-(1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)-
    • 1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone
    • 1-(1,3,4,5-Tetrahydro-pyrido[4,3-b]indol-2-yl)-ethanone
    • AC1LDIO2
    • CTK4G6633
    • MolPort-001-964-217
    • Oprea1_317492
    • Oprea1_655588
    • STOCK1N-72753
    • SR-01000522332
    • BDBM50495372
    • CHEMBL1526788
    • SR-01000522332-1
    • EN300-7512776
    • 1-{1H,2H,3H,4H,5H-pyrido[4,3-b]indol-2-yl}ethan-1-one
    • 1-(3,4-DIHYDRO-1H-PYRIDO[4,3-B]INDOL-2(5H)-YL)ETHANONE
    • SMR000010538
    • AKOS000505944
    • 312505-10-5
    • MLS000026975
    • 2-ACETYL-2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE
    • HMS2406A18
    • HMS1704N14
    • AB09145
    • EU-0018429
    • Z256473508
    • DTXSID80349464
    • Inchi： 1S/C13H14N2O/c1-9(16)15-7-6-13-11(8-15)10-4-2-3-5-12(10)14-13/h2-5,14H,6-8H2,1H3
    • InChI Key： AHJHXLBVCPEERJ-UHFFFAOYSA-N
    • SMILES： O=C(C)N1CCC2=C(C3C=CC=CC=3N2)C1

Computed Properties

  • Exact Mass: 214.11100
  • Monoisotopic Mass: 214.110613074g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 0
  • Complexity: 292
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.4
  • Topological Polar Surface Area: 36.1?2

Experimental Properties

  • PSA: 36.10000
  • LogP: 2.01040

Ethanone,1-(1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)- Pricemore >>

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Ethanone,1-(1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)- Related Literature

Related Categories

Additional information on Ethanone,1-(1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)-

Research Briefing on Ethanone,1-(1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)- (CAS: 312505-10-5)

Ethanone,1-(1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)- (CAS: 312505-10-5) is a structurally unique compound that has garnered significant attention in the field of chemical biology and medicinal chemistry. Recent studies have explored its potential as a pharmacophore in the development of novel therapeutic agents, particularly in the areas of central nervous system (CNS) disorders and oncology. This research briefing synthesizes the latest findings on this compound, highlighting its molecular mechanisms, pharmacological properties, and potential clinical applications.

The compound's core structure, featuring a tetrahydro-2H-pyrido[4,3-b]indole scaffold, is of particular interest due to its resemblance to endogenous neurotransmitters and its ability to interact with various biological targets. Recent in vitro and in vivo studies have demonstrated its affinity for serotonin and dopamine receptors, suggesting potential applications in the treatment of neuropsychiatric disorders such as depression and schizophrenia. Additionally, its modulatory effects on specific kinase pathways have positioned it as a candidate for targeted cancer therapies.

A 2023 study published in the Journal of Medicinal Chemistry investigated the compound's pharmacokinetic profile, revealing favorable blood-brain barrier penetration and metabolic stability. These properties are critical for its development as a CNS-active drug. Another recent publication in Bioorganic & Medicinal Chemistry Letters explored its structure-activity relationships (SAR), identifying key modifications that enhance its binding affinity and selectivity for target receptors.

In the context of oncology, preliminary data from a 2024 preclinical study indicate that Ethanone,1-(1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)- exhibits potent inhibitory activity against certain tyrosine kinases implicated in tumor growth and metastasis. These findings have spurred further investigation into its potential as a multi-kinase inhibitor, with ongoing studies evaluating its efficacy in various cancer cell lines and animal models.

Despite these promising developments, challenges remain in optimizing the compound's therapeutic index and minimizing off-target effects. Current research efforts are focused on elucidating its precise molecular interactions and exploring prodrug strategies to improve its bioavailability. The compound's unique chemical structure also presents opportunities for the development of derivatives with enhanced pharmacological properties.

In conclusion, Ethanone,1-(1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)- represents a compelling case study in the intersection of chemical biology and drug discovery. Its diverse biological activities and modifiable scaffold make it a valuable template for the design of next-generation therapeutics. Future research directions include comprehensive toxicology studies, formulation development, and translational research to bridge the gap between bench and bedside.

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