Cas no 62013-45-0 (Methyl 2-Amino-3-(1H-imidazol-4-yl)propanoate)

Methyl 2-Amino-3-(1H-imidazol-4-yl)propanoate structure
62013-45-0 structure
Product Name:Methyl 2-Amino-3-(1H-imidazol-4-yl)propanoate
CAS No:62013-45-0
MF:C7H11N3O2
MW:169.181141138077
MDL:MFCD00044576
CID:460674
PubChem ID:437593
Update Time:2025-04-23

Methyl 2-Amino-3-(1H-imidazol-4-yl)propanoate Chemical and Physical Properties

Names and Identifiers

    • Histidine, methyl ester
    • methyl 2-amino-3-(1H-imidazol-4-yl)propanoate
    • BXRMEWOQUXOLDH-UHFFFAOYSA-N
    • methyl 2-amino-3-(1H-imidazol-5-yl)propanoate
    • AKOS021982515
    • SB47711
    • EN300-40721
    • CS-0047577
    • methyl histidinate
    • SCHEMBL833709
    • 62013-45-0
    • Q27139216
    • EINECS 230-973-9
    • DTXSID80902598
    • AS-66689
    • Methyl L-histidinate HCl
    • AKOS009013179
    • W11539
    • Methyl2-amino-3-(1H-imidazol-4-yl)propanoate
    • H-D-His-OMe 2 HCl
    • NoName_3125
    • 2-Amino-3-(3H-imidazol-4-yl)-propionic acid methyl ester
    • CHEBI:70961
    • NSC 522221
    • l-histidine methylate
    • AI3-28815
    • Methyl 2-Amino-3-(1H-imidazol-4-yl)propanoate
    • MDL: MFCD00044576
    • Inchi: 1S/C7H11N3O2/c1-12-7(11)6(8)2-5-3-9-4-10-5/h3-4,6H,2,8H2,1H3,(H,9,10)
    • InChI Key: BXRMEWOQUXOLDH-UHFFFAOYSA-N
    • SMILES: O(C)C(C(CC1=CN=CN1)N)=O

Computed Properties

  • Exact Mass: 169.085
  • Monoisotopic Mass: 169.085
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 4
  • Complexity: 163
  • 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
  • Topological Polar Surface Area: 81A^2
  • XLogP3: -0.6

Experimental Properties

  • Density: 1.259±0.06 g/cm3(Predicted)
  • Boiling Point: 368.2±27.0 °C(Predicted)

Methyl 2-Amino-3-(1H-imidazol-4-yl)propanoate Pricemore >>

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Additional information on Methyl 2-Amino-3-(1H-imidazol-4-yl)propanoate

Histidine, Methyl Ester: A Comprehensive Overview

Histidine, methyl ester (CAS No: 62013-45-0) is an organic compound that has garnered significant attention in the fields of biochemistry and pharmacology. This compound is a derivative of histidine, one of the 20 essential amino acids required for protein synthesis in the human body. The methyl esterification of histidine introduces unique chemical properties that make it valuable in various applications, particularly in drug development and biochemical research.

Histidine, methyl ester is structurally characterized by a histidine backbone with a methyl group attached via an ester linkage. This modification enhances the compound's stability and bioavailability, making it a promising candidate for therapeutic interventions. Recent studies have explored its potential as a precursor for synthesizing bioactive molecules, including peptide analogs and targeted drug delivery systems.

The synthesis of histidine, methyl ester involves several methodologies, including traditional peptide coupling techniques and modern catalytic processes. Researchers have optimized these methods to achieve high yields and purity levels, ensuring the compound's suitability for advanced applications. For instance, its use in the development of methylated peptides has opened new avenues for studying protein-protein interactions and enzyme mechanisms.

In terms of biological activity, histidine, methyl ester has been shown to exhibit antioxidant properties, which are critical in mitigating oxidative stress-related diseases such as neurodegenerative disorders and cardiovascular diseases. Recent findings from clinical trials suggest that this compound could serve as a novel therapeutic agent for managing oxidative stress in chronic conditions.

Moreover, histidine, methyl ester plays a pivotal role in the field of nutraceuticals. Its incorporation into dietary supplements has been linked to improved nitrogen retention and muscle protein synthesis, making it a valuable ingredient for athletes and individuals with specific nutritional needs.

The application of histidine, methyl ester extends to diagnostic tools as well. Its ability to bind specific receptors has been leveraged in the development of biosensors and imaging agents for early disease detection. This innovation underscores its versatility across diverse scientific domains.

From an industrial perspective, the production of histidine, methyl ester has been scaled up to meet growing demand from pharmaceutical and biotechnological sectors. Advanced manufacturing techniques ensure consistent quality and adherence to regulatory standards, further solidifying its position as a key compound in modern medicine.

In conclusion, histidine, methyl ester (CAS No: 62013-45-0) is a multifaceted compound with vast potential in drug discovery, nutraceuticals, and diagnostics. Its unique chemical properties and biological activities continue to drive innovative research across various disciplines. As advancements in synthetic methods and therapeutic applications unfold, this compound is poised to play an even more significant role in addressing global health challenges.

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