Cas no 1095822-37-9 (9-methyl-9H-Purine-6-carboxylic acid)

9-Methyl-9H-purine-6-carboxylic acid is a purine derivative with a methyl group at the N9 position and a carboxylic acid functional group at the C6 position. This compound serves as a versatile intermediate in organic synthesis, particularly in the development of nucleoside analogs and pharmaceutical agents. Its structural features make it valuable for modifying purine-based scaffolds, enabling applications in medicinal chemistry and biochemical research. The carboxylic acid moiety allows for further functionalization through amidation or esterification, enhancing its utility in designing targeted molecules. High purity and well-defined reactivity ensure consistent performance in synthetic applications. Suitable for researchers working on nucleotide-related compounds or enzyme inhibition studies.
9-methyl-9H-Purine-6-carboxylic acid structure
1095822-37-9 structure
Product Name:9-methyl-9H-Purine-6-carboxylic acid
CAS No:1095822-37-9
MF:C7H6N4O2
MW:178.14814043045
MDL:MFCD20660139
CID:1098652
PubChem ID:57537962
Update Time:2025-10-28

9-methyl-9H-Purine-6-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 9-methyl-9H-Purine-6-carboxylic acid
    • 9-methylpurine-6-carboxylic acid
    • EN300-372928
    • 1095822-37-9
    • SCHEMBL12590764
    • AKOS027253520
    • MFCD20660139
    • BS-14416
    • 9-METHYL-9H-PURINE-6-CARBOXYLICACID
    • MDL: MFCD20660139
    • Inchi: 1S/C7H6N4O2/c1-11-3-10-4-5(7(12)13)8-2-9-6(4)11/h2-3H,1H3,(H,12,13)
    • InChI Key: GRRAXXUDPBJLJM-UHFFFAOYSA-N
    • SMILES: OC(C1=C2C(=NC=N1)N(C)C=N2)=O

Computed Properties

  • Exact Mass: 178.04907545g/mol
  • Monoisotopic Mass: 178.04907545g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 223
  • 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: 0.2
  • Topological Polar Surface Area: 80.9?2

9-methyl-9H-Purine-6-carboxylic acid Pricemore >>

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Additional information on 9-methyl-9H-Purine-6-carboxylic acid

Exploring the Potential of 9-Methyl-9H-Purine-6-Carboxylic Acid: A Comprehensive Overview

The compound with CAS No. 1095822-37-9, known as 9-methyl-9H-purine-6-carboxylic acid, has garnered significant attention in the scientific community due to its unique chemical structure and potential applications in various fields. This compound belongs to the purine family, which is a fundamental class of heterocyclic organic compounds playing crucial roles in biology, particularly in nucleic acids and energy transfer molecules like ATP and GTP.

Purine derivatives have been extensively studied for their diverse biological activities, including anti-inflammatory, antiviral, and anticancer properties. The addition of a methyl group at the 9-position and a carboxylic acid group at the 6-position in 9-methyl-9H-purine-6-carboxylic acid introduces unique functional groups that may enhance its bioavailability and interaction with biological systems. Recent studies have highlighted its potential as a lead compound for drug development, particularly in the context of targeting specific cellular pathways.

The synthesis of 9-methyl-9H-purine-6-carboxylic acid involves a multi-step process that typically begins with the preparation of purine derivatives followed by functionalization to introduce the methyl and carboxylic acid groups. Researchers have explored various synthetic routes, including microwave-assisted synthesis and enzymatic catalysis, to optimize the production process and improve yield. These advancements have not only made the compound more accessible for research purposes but also opened avenues for its commercial application.

From a pharmacological perspective, 9-methyl-9H-purine-6-carboxylic acid has shown promising results in preclinical studies. For instance, it has demonstrated selective inhibition of certain kinases involved in cancer progression, suggesting its potential as an anticancer agent. Additionally, its ability to modulate immune responses has led to investigations into its use in autoimmune diseases and inflammatory conditions.

Recent breakthroughs in computational chemistry have further enhanced our understanding of the molecular interactions of 9-methyl-9H-purine-6-carboxylic acid. Molecular docking studies have revealed its binding affinity to key proteins associated with neurodegenerative diseases such as Alzheimer's and Parkinson's, indicating its potential role in neuroprotective therapies.

In terms of therapeutic applications, purine-based compounds are increasingly being explored for their role in targeting metabolic pathways. The carboxylic acid group in 9-methyl-9H-purine-6-carboxylic acid may facilitate its uptake into cells, enhancing its bioavailability and effectiveness as a drug candidate.

Moreover, the compound's structural versatility allows for further modification to tailor its properties for specific therapeutic applications. For example, researchers are investigating the effects of substituting different groups at the methyl or carboxylic acid positions to enhance selectivity or reduce potential side effects.

In conclusion, 9-methyl-9H-purine-6-carboxylic acid represents a promising compound with diverse applications across multiple fields. Its unique chemical structure, coupled with advancements in synthetic methods and pharmacological research, positions it as a valuable tool in drug discovery and development.

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