1-[5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-{[2-(trifluoromethyl)phenyl]methoxy}thiophen-2-yl]ethen-1-amine - Moligand™ , Inhibitor of polo like kinase 1, CAS No.D609074, Inhibitor of polo like kinase 1

CAS: D609074 Cat. No.: D609074 PubChem CID: 91827384

GRADE & PURITY Moligand™

Synonyms

compound 2

Storage

Room temperature

Specifications

Sinónimos

compound 2

Especificaciones y pureza

Moligand™

Condiciones de almacenamiento de almacenamiento

Room temperature

Grado

Moligand™

Tipo de acción

INHIBITOR

Mecanismo de acción

Inhibitor of polo like kinase 1

Nombres e identificadores

• Sonrisas canónicas: COc1cc2c(cc1OC)ncn2c1cc(c(s1)C(=C)N)OCc1ccccc1C(F)(F)F
• IUPAC Name: 1-[5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-{[2-(trifluoromethyl)phenyl]methoxy}thiophen-2-yl]ethen-1-amine
• InChIKey: SYQIMXCJFHFKLG-UHFFFAOYSA-N
• INCHI: 1S/C23H20F3N3O3S/c1-13(27)22-20(32-11-14-6-4-5-7-15(14)23(24,25)26)10-21(33-22)29-12-28-16-8-18(30-2)19(31-3)9-17(16)29/h4-10,12H,1,11,27H2,2-3H3
• Isómeros SMILES: COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=C)N)OCC4=CC=CC=C4C(F)(F)F)OC
• PubChem CID: 91827384

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Trifluoromethylbenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Trifluoromethylbenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Trifluoromethylbenzenes
• Alternative Parents: Benzimidazoles Anisoles 2,3,5-trisubstituted thiophenes Alkyl aryl ethers N-substituted imidazoles Heteroaromatic compounds Enamines Azacyclic compounds Organofluorides Monoalkylamines Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Trifluoromethylbenzene - Benzimidazole - Anisole - 2,3,5-trisubstituted thiophene - Phenol ether - Alkyl aryl ether - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Thiophene - Azacycle - Enamine - Ether - Organoheterocyclic compound - Primary amine - Primary aliphatic amine - Amine - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
• 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

Objetivos asociados (humanos)

PLK1 Tchem Serine/threonine-protein kinase PLK1 (1 Activities)

Discover Target: PLK1

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