Cas no 210049-11-9 (2-Amino-3-methyl-3H-imidazo4,5-fquinoline-2-13C)

2-Amino-3-methyl-3H-imidazo[4,5-f]quinoline-2-13C is a carbon-13 labeled derivative of the heterocyclic aromatic amine, commonly used as a stable isotope tracer in metabolic and pharmacokinetic studies. The incorporation of 13C at the 2-position enhances detection sensitivity in mass spectrometry and NMR analyses, facilitating precise tracking in biological systems. This compound is particularly valuable for investigating the formation, distribution, and excretion of imidazoquinoline derivatives in vivo. Its high isotopic purity and chemical stability ensure reliable experimental reproducibility, making it a critical tool for advanced research in toxicology, carcinogenesis, and drug metabolism.
2-Amino-3-methyl-3H-imidazo4,5-fquinoline-2-13C structure
210049-11-9 structure
Product Name:2-Amino-3-methyl-3H-imidazo4,5-fquinoline-2-13C
CAS No:210049-11-9
MF:C11H10N4
MW:199.216556072235
CID:1065503
PubChem ID:45038140
Update Time:2025-10-30

2-Amino-3-methyl-3H-imidazo4,5-fquinoline-2-13C Chemical and Physical Properties

Names and Identifiers

    • 2-Amino-3-methyl-3H-imidazo[4,5-f]quinoline-2-13C
    • LogP
    • 210049-11-9
    • 3H-Imidazo[4,5-f]quinolin-2-amine-2-13C, 3-methyl- (9CI)
    • DTXSID80661779
    • 3-Methyl(2-~13~C)-3H-imidazo[4,5-f]quinolin-2-amine
    • 3-methyl(213C)imidazolo[4,5-f]quinolin-2-amine
    • J-013757
    • DB-323691
    • 2-Amino-3-methyl-3H-imidazo4,5-fquinoline-2-13C
    • Inchi: 1S/C11H10N4/c1-15-9-5-4-8-7(3-2-6-13-8)10(9)14-11(15)12/h2-6H,1H3,(H2,12,14)/i11+1
    • InChI Key: ARZWATDYIYAUTA-KHWBWMQUSA-N
    • SMILES: N1(C)[13C](N)=NC2C3C=CC=NC=3C=CC1=2

Computed Properties

  • Exact Mass: 198.0907
  • Monoisotopic Mass: 199.094
  • Isotope Atom Count: 1
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 0
  • Complexity: 245
  • 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: 1.5
  • Topological Polar Surface Area: 56.7A^2

Experimental Properties

  • Density: 1.413
  • Refractive Index: 1.754
  • PSA: 56.73

2-Amino-3-methyl-3H-imidazo4,5-fquinoline-2-13C Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
A616600-5mg
2-Amino-3-methyl-3H-imidazo[4,5-f]quinoline-2-13C
210049-11-9
5mg
$ 234.00 2023-09-08
TRC
A616600-50mg
2-Amino-3-methyl-3H-imidazo[4,5-f]quinoline-2-13C
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50mg
$ 1774.00 2023-09-08
TRC
A616600-500mg
2-Amino-3-methyl-3H-imidazo[4,5-f]quinoline-2-13C
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500mg
$ 5895.00 2023-09-08
A2B Chem LLC
AB19738-5mg
3H-Imidazo[4,5-f]quinolin-2-amine-2-13C, 3-methyl- (9CI)
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$725.00 2024-04-20

2-Amino-3-methyl-3H-imidazo4,5-fquinoline-2-13C Related Literature

Additional information on 2-Amino-3-methyl-3H-imidazo4,5-fquinoline-2-13C

Introduction to 2-Amino-3-methyl-3H-imidazo[4,5-f]quinoline-2-13C (CAS No. 210049-11-9)

2-Amino-3-methyl-3H-imidazo[4,5-f]quinoline-2-13C, identified by its unique Chemical Abstracts Service (CAS) number 210049-11-9, is a specialized heterocyclic compound that has garnered significant attention in the field of pharmaceutical chemistry and medicinal biology. This isotope-labeled derivative of imidazo[4,5-f]quinoline represents a structurally complex molecule with potential applications in drug discovery, particularly in the development of novel therapeutic agents targeting various biological pathways.

The imidazo[4,5-f]quinoline scaffold is a well-known pharmacophore in medicinal chemistry, characterized by its ability to interact with multiple biological targets. The introduction of a carbon-13 isotope at the 2-position (2-13C) not only provides a means for tracing metabolic pathways but also enhances the compound's suitability for nuclear magnetic resonance (NMR) and mass spectrometry (MS) studies. These analytical techniques are crucial for elucidating molecular interactions and understanding the pharmacokinetic behavior of the compound.

In recent years, there has been growing interest in imidazo[4,5-f]quinoline derivatives due to their reported bioactivity against a range of diseases, including cancer, inflammation, and infectious disorders. The presence of both amino and methyl substituents in 2-amino-3-methyl-3H-imidazo[4,5-f]quinoline-2-13C contributes to its structural diversity and functional potential. The amino group can serve as a hydrogen bond acceptor or participate in ionic interactions with biological targets, while the methyl group may influence the compound's solubility and metabolic stability.

One of the most compelling aspects of this compound is its potential as a tool for mechanistic studies in drug development. The 13C-labeled version allows researchers to monitor the metabolic fate of the molecule in vivo or in vitro, providing insights into its degradation pathways and interaction with enzymes. Such information is invaluable for optimizing drug candidates and predicting their safety profiles.

Recent advancements in computational chemistry have enabled more accurate predictions of the biological activity of heterocyclic compounds like 2-amino-3-methyl-3H-imidazo[4,5-f]quinoline-2-13C. Molecular docking studies have suggested that this molecule may interact with proteins involved in cell signaling and DNA repair mechanisms. These interactions could make it a promising candidate for further investigation as an anticancer agent or a therapeutic modulator for other diseases.

The synthesis of 2-amino-3-methyl-3H-imidazo[4,5-f]quinoline-2-13C presents unique challenges due to its complex structure. However, modern synthetic methodologies have made significant strides in improving the efficiency and scalability of producing such compounds. Techniques such as palladium-catalyzed cross-coupling reactions and transition-metal-mediated cyclizations have been instrumental in constructing the imidazo[4,5-f]quinoline core with high precision.

From an industrial perspective, the demand for labeled compounds like 2-amino-3-methyl-3H-imidazo[4,5-f]quinoline-2-13C is on the rise as pharmaceutical companies increasingly rely on isotopic labeling for research and development purposes. The ability to track molecules at the atomic level provides unprecedented detail into their biological behavior, which is critical for designing next-generation therapeutics.

The regulatory landscape for such compounds is also evolving, with agencies like the U.S. Food and Drug Administration (FDA) and the European Medicines Agency (EMA) recognizing the value of isotopically labeled drugs in clinical trials. This has encouraged pharmaceutical companies to invest more in developing labeled analogs of known bioactive molecules.

In conclusion,2-amino-3-methyl-3H-imidazo[4,5-f]quinoline-2-13C represents a fascinating example of how structural complexity can be leveraged to develop novel therapeutic agents. Its unique properties make it a valuable tool for both academic research and industrial drug development. As our understanding of molecular interactions continues to grow,CAS No. 210049-11-9 will likely play an increasingly important role in shaping future treatments for various human diseases.

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