isoamyl-agomelatine - Moligand™ , Agonist of MT 2 receptor, CAS No.I611177, Agonist of MT 2 receptor

CAS: I611177 Cat. No.: I611177 PubChem CID: 57381997

GRADE & PURITY Moligand™

Storage

Room temperature

Specifications

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

AGONIST

Mechanism of action

Agonist of MT 2 receptor

Names and Identifiers

• Canonical Smiles: COc1ccc2c(c1)c(CCNC(=O)C)cc(c2)CCC(C)C
• IUPAC Name: N-[2-[7-methoxy-3-(3-methylbutyl)naphthalen-1-yl]ethyl]acetamide
• InChIKey: DGWFQLYAVLGONI-UHFFFAOYSA-N
• INCHI: 1S/C20H27NO2/c1-14(2)5-6-16-11-17-7-8-19(23-4)13-20(17)18(12-16)9-10-21-15(3)22/h7-8,11-14H,5-6,9-10H2,1-4H3,(H,21,22)
• Isomeric SMILES: CC(C)CCC1=CC(=C2C=C(C=CC2=C1)OC)CCNC(=O)C
• PubChem CID: 57381997

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid amides
          • Level6 Acetamides
            • Level7 N-acetyl-2-arylethylamines

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid amides - Acetamides
• Direct Parent: N-acetyl-2-arylethylamines
• Alternative Parents: Naphthalenes Anisoles Alkyl aryl ethers Secondary carboxylic acid amides Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: N-acetyl-2-arylethylamine - Naphthalene - Anisole - Phenol ether - Alkyl aryl ether - Benzenoid - Secondary carboxylic acid amide - Ether - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as n-acetyl-2-arylethylamines. These are compounds containing an acetamide group that is N-linked to an arylethylamine.
• 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

Associated Targets(Human)

MTNR1B Tclin Melatonin receptor type 1B (1 Activities)

Discover Target: MTNR1B

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

Mechanisms of Action