(R/S) EF-1500 - Moligand™ , Inhibitor of BGT1;Inhibitor of GAT1, CAS No.738562-57-7, Inhibitor of BGT1;Inhibitor of GAT1

CAS: 738562-57-7 Cat. No.: R613309 PubChem CID: 53319290

GRADE & PURITY Moligand™

Storage

Room temperature

Specifications

Especificaciones y pureza

Moligand™

Condiciones de almacenamiento de almacenamiento

Room temperature

Grado

Moligand™

Tipo de acción

INHIBITOR

Mecanismo de acción

Inhibitor of BGT1;Inhibitor of GAT1

Nombres e identificadores

• Sonrisas canónicas: Cc1ccsc1C(=CCCNC1CCCc2c1c(O)no2)c1sccc1C
• IUPAC Name: 4-{[4,4-bis(3-methylthiophen-2-yl)but-3-en-1-yl]amino}-4,5,6,7-tetrahydro-1,2-benzoxazol-3-ol
• InChIKey: TYXWOLAOXRISSO-UHFFFAOYSA-N
• INCHI: 1S/C21H24N2O2S2/c1-13-8-11-26-19(13)15(20-14(2)9-12-27-20)5-4-10-22-16-6-3-7-17-18(16)21(24)23-25-17/h5,8-9,11-12,16,22H,3-4,6-7,10H2,1-2H3,(H,23,24)
• Isómeros SMILES: CC1=C(SC=C1)C(=CCCNC2CCCC3=C2C(=O)NO3)C4=C(C=CS4)C
• PubChem CID: 53319290

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Amines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aralkylamines
• Alternative Parents: Thiophenes Isoxazoles Heteroaromatic compounds Lactams Oxacyclic compounds Dialkylamines Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aralkylamine - Azole - Isoxazole - Thiophene - Heteroaromatic compound - Lactam - Oxacycle - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl 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

Objetivos asociados (humanos)

SLC6A12 Tchem Sodium- and chloride-dependent betaine transporter (1 Activities)

Discover Target: SLC6A12

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

SLC6A1 Tclin Sodium- and chloride-dependent GABA transporter 1 (0 Activities)

Discover Target: SLC6A1

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