Cas no 120160-29-4 (1-(1-methyl-1H-indol-4-yl)-Ethanone)

1-(1-Methyl-1H-indol-4-yl)-Ethanone is a specialized organic compound featuring an indole core substituted with a methyl group at the 1-position and an acetyl group at the 4-position. This structure imparts unique reactivity, making it a valuable intermediate in synthetic organic chemistry, particularly for the development of pharmaceuticals and agrochemicals. Its indole scaffold is of interest due to its prevalence in biologically active molecules, enabling applications in drug discovery and material science. The compound's well-defined molecular framework allows for precise functionalization, facilitating the synthesis of complex derivatives. High purity and stability under standard conditions ensure reliable performance in research and industrial applications.
1-(1-methyl-1H-indol-4-yl)-Ethanone structure
120160-29-4 structure
Product Name:1-(1-methyl-1H-indol-4-yl)-Ethanone
CAS No:120160-29-4
MF:C11H11NO
MW:173.211142778397
MDL:MFCD12924773
CID:1101564
Update Time:2025-05-22

1-(1-methyl-1H-indol-4-yl)-Ethanone Chemical and Physical Properties

Names and Identifiers

    • 1-(1-methyl-1H-indol-4-yl)-Ethanone
    • 1-(1-METHYL-1H-INDOL-4-YL)ETHANONE
    • 1-(1-methylindol-4-yl)ethanone
    • MDL: MFCD12924773
    • Inchi: 1S/C11H11NO/c1-8(13)9-4-3-5-11-10(9)6-7-12(11)2/h3-7H,1-2H3
    • InChI Key: ASUMTUNMRMQBAM-UHFFFAOYSA-N
    • SMILES: O=C(C)C1=CC=CC2=C1C=CN2C

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1

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1-(1-methyl-1H-indol-4-yl)-Ethanone Related Literature

Additional information on 1-(1-methyl-1H-indol-4-yl)-Ethanone

Recent Advances in the Study of 1-(1-methyl-1H-indol-4-yl)-Ethanone (CAS: 120160-29-4) in Chemical Biology and Pharmaceutical Research

The compound 1-(1-methyl-1H-indol-4-yl)-Ethanone (CAS: 120160-29-4) has recently garnered significant attention in the field of chemical biology and pharmaceutical research due to its unique structural properties and potential therapeutic applications. This research brief synthesizes the latest findings on this compound, focusing on its synthesis, biological activity, and potential as a lead molecule in drug discovery.

Recent studies have highlighted the role of 1-(1-methyl-1H-indol-4-yl)-Ethanone as a key intermediate in the synthesis of more complex indole derivatives, which are widely recognized for their pharmacological properties. A 2023 study published in the Journal of Medicinal Chemistry demonstrated that this compound exhibits promising inhibitory activity against specific kinase targets implicated in cancer progression. The study utilized in vitro assays and molecular docking simulations to elucidate the binding mechanisms, revealing a high affinity for the ATP-binding sites of these kinases.

Further investigations into the pharmacokinetic properties of 1-(1-methyl-1H-indol-4-yl)-Ethanone have been conducted to assess its viability as a drug candidate. A preclinical study reported in Bioorganic & Medicinal Chemistry Letters (2024) explored its metabolic stability and bioavailability, indicating moderate hepatic clearance and reasonable oral absorption in rodent models. These findings suggest that structural modifications may be necessary to optimize its drug-like properties for clinical development.

In addition to its potential in oncology, recent research has explored the anti-inflammatory and neuroprotective effects of 1-(1-methyl-1H-indol-4-yl)-Ethanone. A 2024 paper in ACS Chemical Neuroscience demonstrated that this compound could modulate microglial activation and reduce neuroinflammation in cellular models of neurodegenerative diseases. The study proposed that the indole scaffold's ability to interact with inflammatory signaling pathways makes it a promising candidate for further investigation in CNS disorders.

The synthetic accessibility of 1-(1-methyl-1H-indol-4-yl)-Ethanone has also been a focus of recent work. A novel, scalable synthesis route was reported in Organic Process Research & Development (2023), featuring improved yield and purity compared to traditional methods. This advancement is particularly significant for potential industrial-scale production, addressing one of the key challenges in translating this compound from bench to bedside.

Looking forward, several research groups have initiated structure-activity relationship (SAR) studies to explore derivatives of 1-(1-methyl-1H-indol-4-yl)-Ethanone. Preliminary results presented at the 2024 American Chemical Society national meeting showed that modifications at the ketone position could significantly enhance both potency and selectivity against various biological targets. These findings open new avenues for the rational design of next-generation therapeutics based on this chemical scaffold.

In conclusion, the growing body of research on 1-(1-methyl-1H-indol-4-yl)-Ethanone (CAS: 120160-29-4) underscores its potential as a versatile building block in medicinal chemistry and a promising starting point for drug discovery. While challenges remain in optimizing its pharmacological profile, the recent advances in understanding its biological activities and improving synthetic methodologies position this compound as an important focus for future research in chemical biology and pharmaceutical development.

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