AGN193836 - Moligand™ , Agonist of Retinoic acid receptor-α, CAS No.A607456, Agonist of Retinoic acid receptor-α

CAS: A607456 Cat. No.: A607456 PubChem CID: 23001780

GRADE & PURITY Moligand™

Synonyms

AGN 193836;AGN-193836

Storage

Room temperature

Specifications

Synonyme

AGN 193836;AGN-193836

Spezifikationen & Reinheit

Moligand™

Storage

Room temperature

Note

Moligand™

Aktionsart

AGONIST

Mechanismus der Wirkung

Agonist of Retinoic acid receptor-α

Namen und Kennungen

• Kanonisches Lächeln: O=C(c1cc(F)c(c(c1)F)C(=O)O)Nc1cc2c(c(c1O)Br)C(C)(C)CCC2(C)C
• IUPAC Name: 4-[(4-bromo-3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]-2,6-difluorobenzoic acid
• InChIKey: FADQHUSDAKOWFT-UHFFFAOYSA-N
• INCHI: 1S/C22H22BrF2NO4/c1-21(2)5-6-22(3,4)16-11(21)9-14(18(27)17(16)23)26-19(28)10-7-12(24)15(20(29)30)13(25)8-10/h7-9,27H,5-6H2,1-4H3,(H,26,28)(H,29,30)
• Isomere SMILES: CC1(CCC(C2=C(C(=C(C=C21)NC(=O)C3=CC(=C(C(=C3)F)C(=O)O)F)O)Br)(C)C)C
• PubChem CID: 23001780

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Tetralins

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Tetralins
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetralins
• Alternative Parents: 2-halobenzoic acids 3-halobenzoic acids and derivatives Halobenzoic acids Benzamides Benzoic acids 1-carboxy-2-haloaromatic compounds Benzoyl derivatives O-bromophenols Fluorobenzenes Aryl bromides Aryl fluorides Vinylogous halides Secondary carboxylic acid amides Organobromides Organofluorides Organonitrogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Tetralin - 2-halobenzoic acid or derivatives - Halobenzoic acid - 2-halobenzoic acid - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoic acid - Benzoyl - 2-halophenol - 2-bromophenol - 1-carboxy-2-haloaromatic compound - Phenol - Halobenzene - Fluorobenzene - Aryl halide - Monocyclic benzene moiety - Aryl fluoride - Aryl bromide - Vinylogous halide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Carboxylic acid - Organohalogen compound - Organic oxide - Organic oxygen compound - Organobromide - Organic nitrogen compound - Organofluoride - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homopolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.
• 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

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RARA Tclin Retinoic acid receptor alpha (1 Activities)

Discover Target: RARA

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