Cas no 52811-70-8 (4-(methylsulfanyl)-2-propanamidobutanoic Acid)

4-(Methylsulfanyl)-2-propanamidobutanoic acid is a specialized organic compound featuring a unique combination of functional groups, including a methylsulfanyl moiety and a propanamide side chain attached to a butanoic acid backbone. This structure imparts distinct chemical properties, making it valuable for applications in pharmaceutical intermediates, peptide synthesis, and biochemical research. The methylsulfanyl group enhances reactivity in nucleophilic substitutions, while the propanamide and carboxyl functionalities offer versatility in derivatization. Its balanced polarity and stability under controlled conditions make it suitable for use in controlled reaction environments. The compound is typically handled under inert conditions to preserve its integrity.
4-(methylsulfanyl)-2-propanamidobutanoic Acid structure
52811-70-8 structure
Product Name:4-(methylsulfanyl)-2-propanamidobutanoic Acid
CAS No:52811-70-8
MF:C8H15NO3S
MW:205.274601221085
CID:372394
PubChem ID:103692
Update Time:2025-06-07

4-(methylsulfanyl)-2-propanamidobutanoic Acid Chemical and Physical Properties

Names and Identifiers

    • Methionine,N-(1-oxopropyl)-
    • 4-methylsulfanyl-2-(propanoylamino)butanoic acid
    • N-(1-oxopropyl)-DL-methionine
    • DL-Methionine, N-(1-oxopropyl)-
    • N-propanoylmethionine
    • 4-(methylsulfanyl)-2-propanamidobutanoic acid
    • Z85883170
    • N-(1-Hydroxypropylidene)methionine
    • SCHEMBL302957
    • 52811-70-8
    • DTXSID60967281
    • 4-(methylsulfanyl)-2-propanamidobutanoicacid
    • EINECS 258-197-6
    • EN300-49892
    • AKOS017271694
    • CS-0250139
    • AKOS000126772
    • RBAAEQRITQHPJM-UHFFFAOYSA-N
    • DB-230871
    • 4-(methylsulfanyl)-2-propanamidobutanoic Acid
    • Inchi: 1S/C8H15NO3S/c1-3-7(10)9-6(8(11)12)4-5-13-2/h6H,3-5H2,1-2H3,(H,9,10)(H,11,12)
    • InChI Key: RBAAEQRITQHPJM-UHFFFAOYSA-N
    • SMILES: S(C)CCC(C(=O)O)NC(CC)=O

Computed Properties

  • Exact Mass: 205.07735
  • Monoisotopic Mass: 205.07726451g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 6
  • Complexity: 184
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 2
  • XLogP3: nothing
  • Topological Polar Surface Area: 91.7?2

Experimental Properties

  • PSA: 66.4

4-(methylsulfanyl)-2-propanamidobutanoic Acid Pricemore >>

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Additional information on 4-(methylsulfanyl)-2-propanamidobutanoic Acid

Introduction to 4-(methylsulfanyl)-2-propanamidobutanoic Acid (CAS No. 52811-70-8)

4-(methylsulfanyl)-2-propanamidobutanoic acid, identified by its Chemical Abstracts Service (CAS) number 52811-70-8, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical and biochemical research. This compound belongs to the class of sulfonamides and amides, featuring a unique structural framework that lends itself to diverse applications in drug development and biochemical studies.

The molecular structure of 4-(methylsulfanyl)-2-propanamidobutanoic acid consists of a butanoic acid backbone substituted with an amide group at the second carbon and a methylsulfanyl (dimethyl sulfide) moiety at the fourth carbon. This configuration imparts specific chemical properties that make it a valuable intermediate in synthetic chemistry and a potential candidate for therapeutic applications. The presence of both amide and sulfonamide functionalities enhances its reactivity, allowing for further derivatization and functionalization, which is crucial in medicinal chemistry.

In recent years, there has been growing interest in the development of novel compounds with sulfonamide and amide functionalities due to their broad spectrum of biological activities. 4-(methylsulfanyl)-2-propanamidobutanoic acid has been explored in several preclinical studies for its potential role in modulating biological pathways associated with inflammation, pain, and metabolic disorders. Its structural features suggest that it may interact with enzymes and receptors involved in these pathways, making it a promising candidate for further investigation.

One of the most compelling aspects of 4-(methylsulfanyl)-2-propanamidobutanoic acid is its versatility as a building block in drug discovery. Researchers have utilized this compound to synthesize derivatives with enhanced pharmacological properties. For instance, modifications to the amide or sulfonamide groups can alter the compound's solubility, bioavailability, and target specificity. Such flexibility is essential in developing drugs that can effectively reach their intended biological targets while minimizing side effects.

The pharmaceutical industry has been particularly interested in compounds that exhibit anti-inflammatory and analgesic properties. 4-(methylsulfanyl)-2-propanamidobutanoic acid has shown promise in preliminary studies as a precursor for developing new anti-inflammatory agents. Its ability to inhibit key enzymes involved in the inflammatory cascade, such as cyclooxygenase (COX) and lipoxygenase (LOX), makes it a valuable candidate for further exploration. Additionally, its structural similarity to known therapeutic agents suggests that it may have complementary mechanisms of action.

Beyond its pharmaceutical applications, 4-(methylsulfanyl)-2-propanamidobutanoic acid has found utility in biochemical research. Its unique chemical properties make it an excellent tool for studying enzyme kinetics and substrate specificity. By using this compound as a substrate or inhibitor, researchers can gain insights into the mechanisms of various metabolic pathways. This information is crucial for understanding disease processes and developing targeted therapies.

The synthesis of 4-(methylsulfanyl)-2-propanamidobutanoic acid is another area where this compound has made significant contributions. Advanced synthetic methodologies have been employed to produce this compound with high purity and yield, enabling researchers to conduct more sophisticated experiments without compromising on quality. Techniques such as solid-phase synthesis and catalytic asymmetric hydrogenation have been particularly useful in achieving these goals.

In conclusion, 4-(methylsulfanyl)-2-propanamidobutanoic acid (CAS No. 52811-70-8) is a multifaceted compound with diverse applications in pharmaceutical research and biochemical studies. Its unique structural features make it a valuable intermediate for drug development, while its biological activities suggest potential therapeutic benefits. As research continues to uncover new applications for this compound, it is likely to play an increasingly important role in the discovery and development of novel treatments for various diseases.

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