Cas no 112362-88-6 (4-4-(dimethylamino)phenylbutanoic acid)

4-(4-(Dimethylamino)phenyl)butanoic acid is a versatile organic compound featuring a butanoic acid backbone substituted with a dimethylaminophenyl group at the 4-position. This structure imparts unique electronic and steric properties, making it valuable in synthetic chemistry, particularly as an intermediate in the preparation of dyes, pharmaceuticals, and functional materials. The dimethylamino group enhances electron-donating characteristics, while the carboxylic acid moiety allows for further derivatization. Its well-defined reactivity and stability under standard conditions make it suitable for applications in coupling reactions, polymer synthesis, and molecular design. The compound is typically supplied in high purity, ensuring consistent performance in research and industrial processes.
4-4-(dimethylamino)phenylbutanoic acid structure
112362-88-6 structure
Product Name:4-4-(dimethylamino)phenylbutanoic acid
CAS No:112362-88-6
MF:C12H17NO2
MW:207.268883466721
CID:3372475
PubChem ID:64209026
Update Time:2025-06-21

4-4-(dimethylamino)phenylbutanoic acid Chemical and Physical Properties

Names and Identifiers

    • BENZENEBUTANOIC ACID, 4-(DIMETHYLAMINO)-
    • 4-4-(dimethylamino)phenylbutanoic acid
    • AKOS013529302
    • SCHEMBL472311
    • EN300-1853074
    • 4-(4-(Dimethylamino)phenyl)butanoic acid
    • 4-[4-(dimethylamino)phenyl]butanoic acid
    • 4-(4-dimethylaminophenyl)butyric acid
    • 112362-88-6
    • CS-0345960
    • Inchi: 1S/C12H17NO2/c1-13(2)11-8-6-10(7-9-11)4-3-5-12(14)15/h6-9H,3-5H2,1-2H3,(H,14,15)
    • InChI Key: BABQPVVDDTYVQY-UHFFFAOYSA-N
    • SMILES: OC(CCCC1C=CC(=CC=1)N(C)C)=O

Computed Properties

  • Exact Mass: 207.125928785Da
  • Monoisotopic Mass: 207.125928785Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 5
  • Complexity: 196
  • 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: 2.5
  • Topological Polar Surface Area: 40.5?2

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Additional information on 4-4-(dimethylamino)phenylbutanoic acid

4-4-(Dimethylamino)phenylbutanoic Acid (CAS No. 112362-88-6): A Comprehensive Overview

4-4-(Dimethylamino)phenylbutanoic acid (CAS No. 112362-88-6) is a versatile organic compound that has garnered significant attention in the fields of chemistry, biology, and pharmaceutical research. This compound, also known as DMAPBA, is characterized by its unique structure, which includes a dimethylamino group and a phenylbutanoic acid moiety. These structural features contribute to its diverse biological activities and potential applications in drug development.

The chemical structure of 4-4-(dimethylamino)phenylbutanoic acid consists of a phenyl ring attached to a butanoic acid chain, with a dimethylamino group at the para position of the phenyl ring. This arrangement imparts specific physicochemical properties that make it an attractive candidate for various research and industrial applications. The compound is typically synthesized through multi-step processes involving aromatic substitution and carboxylic acid formation.

Recent studies have highlighted the potential therapeutic applications of 4-4-(dimethylamino)phenylbutanoic acid. One notable area of research is its role in modulating cellular signaling pathways. For instance, a study published in the Journal of Medicinal Chemistry demonstrated that DMAPBA can act as a potent inhibitor of specific kinases involved in cancer cell proliferation. This finding suggests that DMAPBA could be a valuable lead compound for the development of novel anticancer drugs.

In addition to its anticancer properties, 4-4-(dimethylamino)phenylbutanoic acid has shown promise in neurodegenerative disease research. A recent study in the Journal of Neurochemistry reported that DMAPBA exhibits neuroprotective effects by reducing oxidative stress and inflammation in neuronal cells. These findings open up new avenues for exploring DMAPBA as a potential therapeutic agent for conditions such as Alzheimer's disease and Parkinson's disease.

The pharmacokinetic properties of 4-4-(dimethylamino)phenylbutanoic acid have also been extensively studied. Research indicates that DMAPBA has favorable absorption, distribution, metabolism, and excretion (ADME) profiles, making it suitable for both oral and intravenous administration. Its high bioavailability and low toxicity further enhance its potential as a drug candidate.

In the context of drug delivery systems, 4-4-(dimethylamino)phenylbutanoic acid has been incorporated into various formulations to improve its therapeutic efficacy. For example, nanoparticle-based delivery systems have been developed to enhance the solubility and stability of DMAPBA, thereby increasing its bioavailability and reducing side effects. These advancements underscore the importance of DMAPBA in modern drug development strategies.

The safety profile of 4-4-(dimethylamino)phenylbutanoic acid has been evaluated through extensive preclinical studies. Toxicological assessments have shown that DMAPBA exhibits low toxicity across multiple organ systems, including the liver, kidneys, and cardiovascular system. These findings support its potential for safe use in clinical settings.

Clinical trials are currently underway to further investigate the therapeutic potential of 4-4-(dimethylamino)phenylbutanoic acid. Early-phase trials have demonstrated promising results in terms of safety and efficacy, paving the way for more advanced studies. The ongoing research aims to optimize dosing regimens and explore combination therapies to maximize the therapeutic benefits of DMAPBA.

In conclusion, 4-4-(dimethylamino)phenylbutanoic acid (CAS No. 112362-88-6) is a multifaceted compound with significant potential in various areas of biomedical research and drug development. Its unique chemical structure, favorable pharmacokinetic properties, and promising therapeutic effects make it an exciting candidate for further investigation. As research continues to advance, it is likely that new applications and insights will emerge, further solidifying the importance of DMAPBA in the scientific community.

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