Cas no 190011-94-0 (N'-hydroxy-2-(methylamino)benzene-1-carboximidamide)

N'-hydroxy-2-(methylamino)benzene-1-carboximidamide is a specialized organic compound featuring a benzimidamide core with hydroxyl and methylamino functional groups. Its unique structure makes it a valuable intermediate in synthetic chemistry, particularly in the development of pharmaceuticals and agrochemicals. The compound exhibits reactivity suitable for further functionalization, enabling the synthesis of complex heterocyclic systems. Its stability under controlled conditions and compatibility with various reaction conditions enhance its utility in research and industrial applications. The presence of both hydroxyl and imidamide groups offers versatility in coordination chemistry, making it a potential ligand for metal-catalyzed processes. This compound is typically handled under inert conditions to preserve its integrity.
N'-hydroxy-2-(methylamino)benzene-1-carboximidamide structure
190011-94-0 structure
Product Name:N'-hydroxy-2-(methylamino)benzene-1-carboximidamide
CAS No:190011-94-0
MF:C8H11N3O
MW:165.192441225052
CID:3848725
PubChem ID:122235603
Update Time:2025-05-24

N'-hydroxy-2-(methylamino)benzene-1-carboximidamide Chemical and Physical Properties

Names and Identifiers

    • Benzenecarboximidamide, N-hydroxy-2-(methylamino)-
    • N'-hydroxy-2-(methylamino)benzene-1-carboximidamide
    • EN300-1291774
    • 190011-94-0
    • Inchi: 1S/C8H11N3O/c1-10-7-5-3-2-4-6(7)8(9)11-12/h2-5,10,12H,1H3,(H2,9,11)
    • InChI Key: CUYMJCZOAPENNG-UHFFFAOYSA-N
    • SMILES: C1(C(NO)=N)=CC=CC=C1NC

Computed Properties

  • Exact Mass: 165.090211983Da
  • Monoisotopic Mass: 165.090211983Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 170
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.6
  • Topological Polar Surface Area: 70.6?2

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Additional information on N'-hydroxy-2-(methylamino)benzene-1-carboximidamide

Introduction to N'-hydroxy-2-(methylamino)benzene-1-carboximidamide (CAS No. 190011-94-0)

N'-hydroxy-2-(methylamino)benzene-1-carboximidamide, with the chemical identifier CAS No. 190011-94-0, 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 imidamide derivatives, which are known for their diverse biological activities and potential applications in drug development. The unique structural features of N'-hydroxy-2-(methylamino)benzene-1-carboximidamide, including its hydroxyl and methylamino substituents, contribute to its distinct chemical properties and reactivity, making it a valuable scaffold for synthetic chemistry and medicinal chemistry investigations.

The synthesis of N'-hydroxy-2-(methylamino)benzene-1-carboximidamide involves a series of well-defined chemical transformations that highlight the compound's synthetic accessibility. The process typically begins with the functionalization of a benzene ring, followed by the introduction of an imidamide moiety and subsequent modifications to incorporate the hydroxyl and methylamino groups. These synthetic routes have been optimized to ensure high yields and purity, which are critical for downstream applications such as pharmacological testing and structural biology studies.

In recent years, N'-hydroxy-2-(methylamino)benzene-1-carboximidamide has been studied for its potential role in modulating various biological pathways. Research has demonstrated that this compound exhibits inhibitory activity against certain enzymes and receptors, which are implicated in inflammatory diseases, neurodegenerative disorders, and cancer. The hydroxyl group in its structure allows for hydrogen bonding interactions, while the methylamino group contributes to its solubility and bioavailability, making it an attractive candidate for further development as a therapeutic agent.

One of the most compelling aspects of N'-hydroxy-2-(methylamino)benzene-1-carboximidamide is its versatility as a chemical probe. Researchers have utilized this compound to investigate the mechanisms of action of target proteins, providing insights into how these proteins regulate cellular processes. For instance, studies have shown that N'-hydroxy-2-(methylamino)benzene-1-carboximidamide can interact with specific domains of enzymes involved in signal transduction, thereby altering their activity. This has opened up new avenues for drug discovery by identifying novel binding pockets and interaction modes.

The pharmacokinetic properties of N'-hydroxy-2-(methylamino)benzene-1-carboximidamide have also been extensively evaluated. Preclinical studies indicate that this compound exhibits favorable absorption, distribution, metabolism, and excretion (ADME) profiles, suggesting its potential for clinical translation. The presence of polar functional groups enhances its solubility in both aqueous and lipid environments, facilitating its transport across biological membranes. Additionally, metabolic studies have revealed that N'-hydroxy-2-(methylamino)benzene-1-carboximidamide is metabolically stable, which reduces the likelihood of unwanted side effects.

Advances in computational chemistry have further enhanced the understanding of N'-hydroxy-2-(methylamino)benzene-1-carboximidamide's interactions with biological targets. Molecular docking simulations have been employed to predict how this compound binds to specific proteins, providing a rational basis for designing derivatives with improved efficacy and selectivity. These computational approaches have complemented experimental efforts by allowing researchers to screen large libraries of compounds efficiently.

The therapeutic potential of N'-hydroxy-2-(methylamino)benzene-1-carboximidamide has prompted investigations into its effects on disease models. In vitro assays have demonstrated that this compound can inhibit the proliferation of cancer cells by disrupting key signaling pathways. Similarly, animal models have shown that N'-hydroxy-2-(methylamino)benzene-1-carboximidamide can ameliorate symptoms associated with inflammatory conditions by modulating immune responses. These findings underscore the compound's promise as a lead molecule for developing novel therapeutics.

Future directions in the study of N'-hydroxy-2-(methylamino)benzene-1-carboximidamide include exploring its role in precision medicine. By understanding how genetic variations influence individual responses to this compound, researchers can develop personalized treatment strategies tailored to specific patient populations. Additionally, interdisciplinary collaborations between chemists, biologists, and clinicians will be essential for translating laboratory findings into clinical applications.

In conclusion, N'-hydroxy-2-(methylamino)benzene-1-carboximidamide (CAS No. 190011-94-0) is a multifaceted compound with significant potential in pharmaceutical research. Its unique structural features and biological activities make it a valuable tool for studying disease mechanisms and developing new treatments. As research continues to uncover its therapeutic benefits, N'-hydroxy-2-(methylamino)benzene-1-carboximidamide is poised to play a crucial role in advancing our understanding of human health and disease.

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