PA451 - Moligand™ , Antagonist of Retinoid X receptor-α, CAS No.457657-33-9, Antagonist of Retinoid X receptor-α

CAS: 457657-33-9 Cat. No.: P612604 PubChem CID: 9823741

QUALITÀ & PUREZZA Moligand™

Storage

Room temperature

Specifiche

Specifiche e purezza

Moligand™

Condizioni di conservazione di stoccaggio

Room temperature

Grado

Moligand™

Tipo di azione

ANTAGONIST

Meccanismo d'azione

Antagonist of Retinoid X receptor-α

Nomi e identificatori

Sorrisi canonici

CCCCCOc1cc2c(cc1N(c1ncc(cn1)C(=O)O)C)C(C)(C)CCC2(C)C

IUPAC Name

2-[methyl-(5,5,8,8-tetramethyl-3-pentoxy-6, 7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid

InChIKey

PMHLEYZHMPYVLJ-UHFFFAOYSA-N

INCHI

1S/C25H35N3O3/c1-7-8-9-12-31-21-14-19-18(24(2,3)10-11-25(19,4)5)13-20(21)28(6)23-26-15-17(16-27-23)22(29)30/h13-16H,7-12H2,1-6H3,(H,29,30)

Isomeri SMILES

CCCCCOC1=C(C=C2C(=C1)C(CCC2(C)C)(C)C)N(C)C3=NC=C(C=N3)C(=O)O

PubChem CID

9823741

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Tertiary alkylarylamines
            • Level7 Alkyldiarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines - Tertiary alkylarylamines
• Direct Parent: Alkyldiarylamines
• Alternative Parents: Tetralins Pyrimidinecarboxylic acids Phenol ethers Aminopyrimidines and derivatives Alkyl aryl ethers Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alkyldiarylamine - Tetralin - Pyrimidine-5-carboxylic acid - Pyrimidine-5-carboxylic acid or derivatives - Phenol ether - Alkyl aryl ether - Aminopyrimidine - Benzenoid - Pyrimidine - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Azacycle - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as alkyldiarylamines. These are tertiary alkylarylamines having two aryl and one alkyl groups attached to the amino 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

Obiettivi associati (umani)

RXRA Tclin Retinoic acid receptor RXR-alpha (0 Activities)

Discover Target: RXRA

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

RXRG Tclin Retinoid X receptor gamma (646 Activities)

Discover Target: RXRG

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

RXRA Tclin Retinoid X receptor alpha (3637 Activities)

Discover Target: RXRA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

RXRB Tclin Retinoid X receptor beta (726 Activities)

Discover Target: RXRB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione