3-{[(2,6-dichlorophenyl)methyl]amino}-6,7-dimethoxy-1H,4H-indeno[1,2-c]pyrazol-4-one - Moligand™ , Inhibitor of eukaryotic translation initiation factor 2 alpha kinase 1, CAS No.D609015, Inhibitor of eukaryotic translation initiation factor 2 alpha kinase 1

CAS: D609015 Cat. No.: D609015 PubChem CID: 45375987

GRADE & PURITY Moligand™

Synonyms

compound 27

Storage

Room temperature

Specifications

Synonyms

compound 27

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of eukaryotic translation initiation factor 2 alpha kinase 1

Names and Identifiers

• Canonical Smiles: COc1cc2c3[nH]nc(c3C(=O)c2cc1OC)NCc1c(Cl)cccc1Cl
• IUPAC Name: 3-{[(2,6-dichlorophenyl)methyl]amino}-6,7-dimethoxy-1H,4H-indeno[1,2-c]pyrazol-4-one
• InChIKey: UUDNGLPFGYJJQX-UHFFFAOYSA-N
• INCHI: 1S/C19H15Cl2N3O3/c1-26-14-6-9-10(7-15(14)27-2)18(25)16-17(9)23-24-19(16)22-8-11-12(20)4-3-5-13(11)21/h3-7H,8H2,1-2H3,(H2,22,23,24)
• Isomeric SMILES: COC1=C(C=C2C(=C1)C3=C(C2=O)C(=NN3)NCC4=C(C=CC=C4Cl)Cl)OC
• PubChem CID: 45375987

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Benzylamines Aryl ketones Anisoles Secondary alkylarylamines Alkyl aryl ethers Imidolactams Aryl chlorides Vinylogous amides Pyrazoles Heteroaromatic compounds Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Anisole - Benzylamine - 1,3-dichlorobenzene - Phenol ether - Aryl ketone - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Imidolactam - Azole - Heteroaromatic compound - Pyrazole - Vinylogous amide - Ketone - Ether - Azacycle - Organoheterocyclic compound - Secondary amine - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• 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)

EIF2AK1 Tchem Eukaryotic translation initiation factor 2-alpha kinase 1 (2 Activities)

Discover Target: EIF2AK1

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

Mechanisms of Action