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

グレード＆純度 Moligand™

Synonyms

AGN 193836;AGN-193836

Storage

Room temperature

仕様

同義語

AGN 193836;AGN-193836

仕様と純度

Moligand™

保管条件

Room temperature

等級

Moligand™

アクションタイプ

AGONIST

作用メカニズム

Agonist of Retinoic acid receptor-α

名前と識別子

カノニカル・スマイル

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)

異性体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
    • 分類 Tetralins

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

関連ターゲット（人間）

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)