Cas no 115022-95-2 (n~1~-Phenyl-β-alaninamide Hydrochloride)

N~1~-Phenyl-β-alaninamide Hydrochloride is a chemically modified derivative of β-alanine, featuring a phenyl group substitution at the N~1~ position and an amide functional group. This compound is primarily utilized in peptide synthesis and pharmaceutical research due to its role as a building block for bioactive molecules. The hydrochloride salt enhances its solubility in aqueous and polar solvents, facilitating its use in solution-phase reactions. Its structural versatility allows for further functionalization, making it valuable in the development of peptidomimetics and enzyme inhibitors. The product is characterized by high purity and stability, ensuring consistent performance in synthetic applications.
n~1~-Phenyl-β-alaninamide Hydrochloride structure
115022-95-2 structure
Product Name:n~1~-Phenyl-β-alaninamide Hydrochloride
CAS No:115022-95-2
MF:C9H13ClN2O
MW:200.665321111679
MDL:MFCD13193981
CID:1076567
PubChem ID:51051926
Update Time:2025-06-08

n~1~-Phenyl-β-alaninamide Hydrochloride Chemical and Physical Properties

Names and Identifiers

    • 3-Amino-N-phenylpropanamide hydrochloride
    • PropanaMide, 3-aMino-N-phenyl-, Monohydrochloride
    • AG-I-03048
    • BB_SC-8136
    • CTK4A9113
    • PubChem21789
    • 3-Amino-N-phenyl-propionamide hydrochloride
    • AKOS015847445
    • 3-AMINO-N-PHENYLPROPANAMIDEHYDROCHLORIDE
    • Propanamide, 3-amino-N-phenyl-, hydrochloride (1:1)
    • N-Phenyl-beta-alaninamide--hydrogen chloride (1/1)
    • N1-Phenyl-beta-alaninamide hydrochloride
    • 3-Amino-N-phenylpropanamide HCl
    • DTXSID70679641
    • BS-35632
    • MFCD13193981
    • SCHEMBL12477633
    • N1-Phenyl-beta-alaninamide hydrochloride, AldrichCPR
    • N~1~-phenyl-beta-alaninamide hydrochloride
    • 3-amino-N-phenylpropanamide;hydrochloride
    • CS-0329543
    • 115022-95-2
    • n~1~-Phenyl-β-alaninamide Hydrochloride
    • MDL: MFCD13193981
    • Inchi: 1S/C9H12N2O.ClH/c10-7-6-9(12)11-8-4-2-1-3-5-8;/h1-5H,6-7,10H2,(H,11,12);1H
    • InChI Key: MPMIMACTZNZBSD-UHFFFAOYSA-N
    • SMILES: Cl.O=C(CCN)NC1C=CC=CC=1

Computed Properties

  • Exact Mass: 200.0716407g/mol
  • Monoisotopic Mass: 200.0716407g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 142
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 55.1?2

n~1~-Phenyl-β-alaninamide Hydrochloride Pricemore >>

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Additional information on n~1~-Phenyl-β-alaninamide Hydrochloride

N~1~-Phenyl-β-alaninamide Hydrochloride (CAS No. 115022-95-2): A Comprehensive Overview

N~1~-Phenyl-β-alaninamide Hydrochloride, identified by its CAS number 115022-95-2, is a compound of significant interest in the field of pharmaceutical chemistry and biochemistry. This compound, belonging to the amide class, has garnered attention due to its unique structural properties and potential biological activities. The hydrochloride salt form enhances its solubility, making it a valuable candidate for various research applications.

The molecular structure of N~1~-Phenyl-β-alaninamide Hydrochloride consists of a phenyl group attached to an β-alanine backbone, with an amide linkage. This configuration suggests potential interactions with biological targets such as enzymes and receptors. The presence of the hydrochloride moiety further influences its pharmacokinetic profile, contributing to its stability and bioavailability.

Recent studies have highlighted the compound's potential in modulating biological pathways relevant to inflammation and neurodegeneration. For instance, research indicates that N~1~-Phenyl-β-alaninamide Hydrochloride may interact with inflammatory cytokine pathways, offering a novel approach to developing anti-inflammatory agents. Additionally, its structural similarity to certain neuroprotective compounds has prompted investigations into its role in neurodegenerative diseases.

In vitro studies have demonstrated the compound's ability to inhibit the activity of specific enzymes involved in pro-inflammatory pathways. This inhibition suggests that N~1~-Phenyl-β-alaninamide Hydrochloride could serve as a lead compound for the development of new therapeutic agents targeting chronic inflammatory conditions. The compound's mechanism of action appears to involve precise modulation of signaling cascades, thereby reducing pathological inflammation.

The hydrochloride salt form of N~1~-Phenyl-β-alaninamide Hydrochloride offers several advantages in terms of formulation and delivery. Its enhanced solubility compared to the free base form allows for more efficient absorption and distribution within biological systems. This property is particularly crucial in drug development, where optimal solubility can significantly impact therapeutic efficacy.

Current research is also exploring the potential applications of N~1~-Phenyl-β-alaninamide Hydrochloride in combination therapies. The compound's ability to interact with multiple biological targets makes it a promising candidate for synergistic approaches in treating complex diseases. For example, its potential role in both anti-inflammatory and neuroprotective mechanisms could make it valuable in managing conditions where these pathways are intertwined.

From a synthetic chemistry perspective, the synthesis of N~1~-Phenyl-β-alaninamide Hydrochloride involves multi-step reactions that require precise control over reaction conditions. Advanced synthetic methodologies have been employed to optimize yield and purity, ensuring that researchers have access to high-quality material for their studies. These synthetic advancements have also facilitated the exploration of analogues and derivatives of this compound.

The pharmacological profile of N~1~-Phenyl-β-alaninamide Hydrochloride is further being elucidated through preclinical studies. These studies aim to determine its safety profile, optimal dosing regimens, and potential side effects. The results from these trials will provide critical insights into its therapeutic potential and guide future clinical development efforts.

In conclusion, N~1~-Phenyl-β-alaninamide Hydrochloride (CAS No. 115022-95-2) represents a significant area of research in pharmaceutical chemistry. Its unique structural features and potential biological activities make it a valuable compound for investigating new therapeutic strategies. As research continues to uncover its mechanisms of action and applications, this compound is poised to play a crucial role in the development of innovative treatments for various diseases.

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