(2S)-2-(2-aminoethoxy)-3-(1-phenylimidazol-4-yl)propanoic acid - Moligand™ , Inhibitor of Carboxypeptidase B1 (tissue);Inhibitor of Carboxypeptidase B2 (plasma), CAS No.S609271, Inhibitor of Carboxypeptidase B1 (tissue);Inhibitor of Carboxypeptidase B2 (plasma)

CAS: S609271 Cat. No.: S609271 PubChem CID: 10286113

GRADE & PURITY Moligand™

Synonyms

compound 4

Storage

Room temperature

Specifications

Synonyms

compound 4

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of Carboxypeptidase B1 (tissue);Inhibitor of Carboxypeptidase B2 (plasma)

Names and Identifiers

• Canonical Smiles: NCCO[C@H](C(=O)O)Cc1ncn(c1)c1ccccc1
• IUPAC Name: (2S)-2-(2-aminoethoxy)-3-(1-phenylimidazol-4-yl)propanoic acid
• InChIKey: LVCATUGNENEDGZ-ZDUSSCGKSA-N
• INCHI: 1S/C14H17N3O3/c15-6-7-20-13(14(18)19)8-11-9-17(10-16-11)12-4-2-1-3-5-12/h1-5,9-10,13H,6-8,15H2,(H,18,19)/t13-/m0/s1
• Isomeric SMILES: C1=CC=C(C=C1)N2C=C(N=C2)C[C@@H](C(=O)O)OCCN
• PubChem CID: 10286113

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Imidazoles
        • Level5 Substituted imidazoles
          • Level6 Phenylimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: Phenylimidazoles
• Alternative Parents: Imidazolyl carboxylic acids and derivatives N-substituted imidazoles Benzene and substituted derivatives Heteroaromatic compounds Amino acids Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1-phenylimidazole - Imidazolyl carboxylic acid derivative - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Azacycle - Primary aliphatic amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Amine - Primary amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.
• External Descriptors: Not available

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)

CPB2 Tchem Carboxypeptidase B2 (2 Activities)

Discover Target: CPB2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CPB1 Tchem Carboxypeptidase B (2 Activities)

Discover Target: CPB1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CPB2 Tchem Carboxypeptidase B2 isoform A (351 Activities)

Discover Target: CPB2

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

Mechanisms of Action