4-APPES - Moligand™ , Allosteric modulator of mGlu 2 receptor, CAS No.A607181, Allosteric modulator of mGlu 2 receptor

CAS: A607181 Cat. No.: A607181 PubChem CID: 11281345

GRADE & PURITY Moligand™

Storage

Room temperature

Specifications

仕様と純度

Moligand™

保管条件

Room temperature

等級

Moligand™

アクションタイプ

ALLOSTERIC MODULATOR

作用メカニズム

Allosteric modulator of mGlu 2 receptor

名前と識別子

• カノニカル・スマイル: CCS(=O)(=O)N(c1ccc(cc1)Oc1ccc(cc1)C(=O)N)Cc1cccnc1
• IUPAC Name: 4-[4-(ethylsulfonyl-(pyridin-3-ylmethyl)amino)phenoxy]benzamide
• InChIKey: VCBPWPYIGXFKDH-UHFFFAOYSA-N
• INCHI: 1S/C21H21N3O4S/c1-2-29(26,27)24(15-16-4-3-13-23-14-16)18-7-11-20(12-8-18)28-19-9-5-17(6-10-19)21(22)25/h3-14H,2,15H2,1H3,(H2,22,25)
• 異性体SMILES: CCS(=O)(=O)N(CC1=CN=CC=C1)C2=CC=C(C=C2)OC3=CC=C(C=C3)C(=O)N
• PubChem CID: 11281345

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Diphenylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Diarylethers Sulfanilides Benzamides Benzoyl derivatives Phenol ethers Phenoxy compounds Organic sulfonamides Organosulfonamides Pyridines and derivatives Heteroaromatic compounds Aminosulfonyl compounds Primary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diphenylether - Diaryl ether - Sulfanilide - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Phenol ether - Benzoyl - Pyridine - Organosulfonic acid amide - Organic sulfonic acid amide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Primary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Azacycle - Ether - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether 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

関連ターゲット（人間）

GRM2 Tchem Metabotropic glutamate receptor 2 (1 Activities)

Discover Target: GRM2

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