Imidazolepropionic acid - ≥98% , CAS No.1074-59-5

CAS: 1074-59-5 Cat. No.: I165812 Molecular Weight: 140.14 EC Number: 214-045-0

GRADE & PURITY ≥98%

Synonyms

3-(1H-Imidazol-5-yl)-propionic acid | C20522 | CHEBI:73087 | AKOS015856228 | ZCKYOWGFRHAZIQ-UHFFFAOYSA-N | 4-imidazolylpropanoic acid | Imidazolylpropionate | (3-Imidazol-4-yl)propionic acid | 3-(Imidazol-4-yl)propionate | FT-0733120 | 3-(Imidazol-4-yl)pr

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

3-(1H-Imidazol-5-yl)-propionic acid | C20522 | CHEBI:73087 | AKOS015856228 | ZCKYOWGFRHAZIQ-UHFFFAOYSA-N | 4-imidazolylpropanoic acid | Imidazolylpropionate | (3-Imidazol-4-yl)propionic acid | 3-(Imidazol-4-yl)propionate | FT-0733120 | 3-(Imidazol-4-yl)pr

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488184560
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184560
• Canonical Smiles: C1=C(NC=N1)CCC(=O)O
• IUPAC Name: 3-(1H-imidazol-5-yl)propanoic acid
• InChIKey: ZCKYOWGFRHAZIQ-UHFFFAOYSA-N
• INCHI: 1S/C6H8N2O2/c9-6(10)2-1-5-3-7-4-8-5/h3-4H,1-2H2,(H,7,8)(H,9,10)
• Isomeric SMILES: C1=C(NC=N1)CCC(=O)O
• Molecular Weight: 140.14
• Reaxy-Rn: 509610
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=509610&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Imidazoles
        • Level5 Substituted imidazoles
          • Level6 Imidazolyl carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: Imidazolyl carboxylic acids and derivatives
• Alternative Parents: Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Imidazolyl carboxylic acid derivative - Heteroaromatic compound - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as imidazolyl carboxylic acids and derivatives. These are organic compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an imidazole ring.
• External Descriptors: imidazolyl carboxylic acid

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

SLC6A1 Tclin GABA transporter 1 (308 Activities)

Discover Target: SLC6A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SLC6A11 Tchem GABA transporter 3 (176 Activities)

Discover Target: SLC6A11

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Slc6a11 GABA transporter 4 (930 Activities)

Discover Target: Slc6a11

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Gabrp GABA-A receptor; anion channel (5731 Activities)

Discover Target: Gabrp

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: heat sensitive；air sensitive
• Molecular Weight: 140.140 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 140.059 Da
• Monoisotopic Mass: 140.059 Da
• Topological Polar Surface Area: 66.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 127.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Xinrong Jiang, Xiaoming Chen, Tao Wang, Yuexin Li, Aiwu Pan, Jianmin Wu.  (2020)  Perfluorinated polymer modified vertical silicon nanowires as ultra low noise laser desorption ionization substrate for salivary metabolites profiling.  TALANTA,      [PMID:33592752] [10.1016/j.talanta.2020.122022]

2. Jingyi Hu, Feng Xu, Lei Zhu, Yuan Cui, Ryan Au, Yanan Li, Yiheng Tong, Hong Shen.  (2025)  Angelica dahurica Polysaccharides Ameliorate Colitis by Reducing the Restriction of Gut Microbiota-Derived Imidazole Propionate on PPAR-γ Signaling Activation.  PHYTOTHERAPY RESEARCH,      [PMID:40045660] [10.1002/ptr.8466]