Cas no 4121-39-5 (9-(2-Propenyl)adenine)

9-(2-Propenyl)adenine is a modified adenine derivative featuring a propenyl group at the N9 position, which enhances its reactivity and utility in nucleoside and nucleotide chemistry. This compound serves as a versatile intermediate in the synthesis of modified nucleosides, oligonucleotides, and other biologically active molecules. Its propenyl side chain allows for further functionalization, making it valuable for cross-coupling reactions, polymer modifications, and targeted drug design. The compound exhibits stability under standard laboratory conditions and is compatible with a range of organic solvents. Researchers favor it for its synthetic flexibility and potential applications in medicinal chemistry and biochemical studies.
9-(2-Propenyl)adenine structure
9-(2-Propenyl)adenine structure
Product Name:9-(2-Propenyl)adenine
CAS No:4121-39-5
MF:C8H9N5
MW:175.190560102463
MDL:MFCD11505839
CID:334294
Update Time:2025-10-22

9-(2-Propenyl)adenine Chemical and Physical Properties

Names and Identifiers

    • 9-(2-propen-1-yl)-9H-Purin-6-amine
    • 9-(2-Propenyl)adenin
    • 9-(2-Propenyl)adenine
    • 9-Allyl-9H-purin-6-amine
    • 9H-Purin-6-amine,9-(2-propen-1-yl)-
    • 9-prop-2-enylpurin-6-amine
    • NSC 77154
    • 9-allyl-9H-adenine
    • 9-allyl-9H-purin-6-ylamine
    • 9-allyladenide
    • 9-allyladenine
    • 9-allyl-adenine
    • 9H-Purin-6-amine, 9-(2-propenyl)-
    • AC1L3WMC
    • AC1Q4VGL
    • AR-1H5724
    • CTK4I4431
    • N9-allyladenine
    • SureCN1798270
    • MDL: MFCD11505839
    • Inchi: 1S/C8H9N5/c1-2-3-13-5-12-6-7(9)10-4-11-8(6)13/h2,4-5H,1,3H2,(H2,9,10,11)
    • InChI Key: BNNFYJHXSHTFOS-UHFFFAOYSA-N
    • SMILES: N1(C=NC2=C(N)N=CN=C12)CC=C

Computed Properties

  • Exact Mass: 175.08597
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2

Experimental Properties

  • PSA: 69.62
  • LogP: 1.17570

9-(2-Propenyl)adenine Pricemore >>

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Additional information on 9-(2-Propenyl)adenine

Comprehensive Overview of 9-(2-Propenyl)adenine (CAS No. 4121-39-5): Properties, Applications, and Research Insights

9-(2-Propenyl)adenine (CAS No. 4121-39-5), a derivative of the purine base adenine, has garnered significant attention in biochemical and pharmaceutical research due to its unique structural modifications. This compound, also referred to as N6-(2-propenyl)adenine, features an allyl group substitution at the N9 position of the adenine ring, enhancing its reactivity and potential applications. Researchers and industries are increasingly exploring its role in nucleoside analogs, enzyme inhibition, and as a building block for advanced bioconjugation strategies.

The molecular formula of 9-(2-Propenyl)adenine is C8H9N5, with a molecular weight of 175.19 g/mol. Its chemical structure combines the adenine scaffold with a propenyl moiety, offering versatility in synthetic chemistry. This modification is pivotal for designing targeted drug delivery systems and small-molecule probes in diagnostics. Recent studies highlight its utility in modulating kinase activity and signal transduction pathways, aligning with the growing demand for precision medicine tools.

In the context of biomedical research, 9-(2-Propenyl)adenine serves as a key intermediate for synthesizing modified nucleosides with potential antiviral or anticancer properties. Its allyl group enables click chemistry applications, facilitating the development of fluorescent labels and proteomics reagents. This aligns with trending topics like CRISPR-Cas9 gene editing and mRNA vaccine technology, where nucleotide analogs play a critical role.

From an industrial perspective, the compound’s stability under physiological conditions makes it suitable for high-throughput screening (HTS) assays. Its compatibility with enzymatic reactions and catalytic systems has spurred innovations in biocatalysis and green chemistry. These applications resonate with global sustainability goals, addressing queries like "How can synthetic biology reduce chemical waste?" or "What are eco-friendly alternatives for drug synthesis?".

Quality control of CAS No. 4121-39-5 involves rigorous HPLC and NMR validation to ensure purity ≥95%, meeting standards for pharmaceutical intermediates. Storage recommendations typically include protection from light at -20°C, emphasizing its sensitivity to degradation. Such details are frequently searched by lab technicians and procurement specialists seeking stable adenine derivatives for long-term projects.

Emerging trends also link 9-(2-Propenyl)adenine to AI-driven drug discovery, where its structural features are optimized via machine learning algorithms. This intersects with popular inquiries like "How is AI accelerating nucleotide drug development?" or "Can computational models predict adenine derivative reactivity?". The compound’s dual role as a research tool and therapeutic precursor underscores its cross-disciplinary relevance.

In summary, 9-(2-Propenyl)adenine (CAS No. 4121-39-5) exemplifies the convergence of organic chemistry, biotechnology, and materials science. Its adaptability to cutting-edge research domains—from epigenetics to nanomedicine—positions it as a compound of enduring scientific and commercial value. Future studies may further elucidate its mechanisms in cellular metabolism and disease modulation, answering pressing questions in modern biochemistry.

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