(2S)-2-[[(2S)-1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoylamino]pentanedioic acid - Moligand™ , Inhibitor of Folate hydrolase (prostate-specific membrane antigen) 1, CAS No.S609453, Inhibitor of Folate hydrolase (prostate-specific membrane antigen) 1

CAS: S609453 Cat. No.: S609453 PubChem CID: 10043679

GRADE & PURITY Moligand™

Synonyms

compound 8d

Storage

Room temperature

Specifications

Synonyms

compound 8d

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of Folate hydrolase (prostate-specific membrane antigen) 1

Names and Identifiers

• Canonical Smiles: O=C(N[C@H](C(=O)O)CCC(=O)O)N[C@H](C(=O)O)Cc1ccc(cc1)O
• IUPAC Name: (2S)-2-[[(2S)-1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoylamino]pentanedioic acid
• InChIKey: QXWVJRPYHOYHHT-QWRGUYRKSA-N
• INCHI: 1S/C15H18N2O8/c18-9-3-1-8(2-4-9)7-11(14(23)24)17-15(25)16-10(13(21)22)5-6-12(19)20/h1-4,10-11,18H,5-7H2,(H,19,20)(H,21,22)(H,23,24)(H2,16,17,25)/t10-,11-/m0/s1
• Isomeric SMILES: C1=CC(=CC=C1C[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)O
• PubChem CID: 10043679

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Tyrosine and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Tyrosine and derivatives
• Alternative Parents: Phenylalanine and derivatives Glutamic acid and derivatives N-carbamoyl-alpha amino acids Phenylpropanoic acids Amphetamines and derivatives Tricarboxylic acids and derivatives 1-hydroxy-2-unsubstituted benzenoids Ureas Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Tyrosine or derivatives - Phenylalanine or derivatives - Glutamic acid or derivatives - N-carbamoyl-alpha-amino acid - N-carbamoyl-alpha-amino acid or derivatives - 3-phenylpropanoic-acid - Amphetamine or derivatives - Tricarboxylic acid or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Carbonic acid derivative - Urea - Carboxylic acid - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as tyrosine and derivatives. These are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• 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)

FOLH1 Tclin Glutamate carboxypeptidase 2 (1 Activities)

Discover Target: FOLH1

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

NAALAD2 Tchem N-acetylated-alpha-linked acidic dipeptidase 2 (1 Activities)

Discover Target: NAALAD2

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

Mechanisms of Action