2-{[2-(4-{5-[(1-ethyl-1H-pyrazol-3-yl)amino]-1H-[1,2,3]triazolo[4,5-d]pyrimidin-1-yl}phenyl)propan-2-yl]oxy}ethan-1-ol - Moligand™ , Inhibitor of eukaryotic translation initiation factor 2 alpha kinase 4, CAS No.E609499, Inhibitor of eukaryotic translation initiation factor 2 alpha kinase 4

CAS: E609499 Cat. No.: E609499 PubChem CID: 90655897

GRADE & PURITY Moligand™

Synonyms

A-127 | compound A127

Storage

Room temperature

Specifications

Synonyms

A-127 | compound A127

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of eukaryotic translation initiation factor 2 alpha kinase 4

Names and Identifiers

• Canonical Smiles: OCCOC(c1ccc(cc1)n1nnc2c1cnc(n2)Nc1ccn(n1)CC)(C)C
• IUPAC Name: 2-{[2-(4-{5-[(1-ethyl-1H-pyrazol-3-yl)amino]-1H-[1,2,3]triazolo[4,5-d]pyrimidin-1-yl}phenyl)propan-2-yl]oxy}ethan-1-ol
• InChIKey: XNAMZBCMLZQBIC-UHFFFAOYSA-N
• INCHI: 1S/C20H24N8O2/c1-4-27-10-9-17(25-27)22-19-21-13-16-18(23-19)24-26-28(16)15-7-5-14(6-8-15)20(2,3)30-12-11-29/h5-10,13,29H,4,11-12H2,1-3H3,(H,21,22,23,25)
• Isomeric SMILES: CCN1C=CC(=N1)NC2=NC=C3C(=N2)N=NN3C4=CC=C(C=C4)C(C)(C)OCCO
• PubChem CID: 90655897

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Triazoles
        • Level5 Phenyltriazoles
          • Level6 Phenyl-1,2,3-triazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Triazoles
• Intermediate Tree Nodes: Phenyltriazoles
• Direct Parent: Phenyl-1,2,3-triazoles
• Alternative Parents: Triazolopyrimidines Phenylpropanes Benzylethers Aminopyrimidines and derivatives Imidolactams Pyrazoles Heteroaromatic compounds Dialkyl ethers Azacyclic compounds Primary alcohols Hydrocarbon derivatives Amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenyl-1,2,3-triazole - Benzylether - Phenylpropane - Triazolopyrimidine - Aminopyrimidine - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Imidolactam - Pyrazole - Heteroaromatic compound - Ether - Dialkyl ether - Azacycle - Amine - Primary alcohol - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Alcohol - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenyl-1,2,3-triazoles. These are organic compounds containing a 1,2,3-triazole substituted by a phenyl group.
• 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)

EIF2AK4 Tchem eIF-2-alpha kinase GCN2 (1 Activities)

Discover Target: EIF2AK4

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

Mechanisms of Action