3-MPPTS - Moligand™ , Allosteric modulator of mGlu 2 receptor, CAS No.M607169, Allosteric modulator of mGlu 2 receptor

CAS: M607169 Cat. No.: M607169 PubChem CID: 10275802

GRADE & PURITY Moligand™

Synonyms

3-MPPTS|23XF3D2L3N|UNII-23XF3D2L3N|LY-508869|353229-45-5|2,2,2-Trifluoro-N-(3-(2-methoxyphenoxy)phenyl)-N-(3-pyridinylmethyl)ethanesulfonamide|Ethanesulfonamide, 2,2,2-trifluoro-N-(3-(2-methoxyphenoxy)phenyl)-N-(3-pyridinylmethyl)-|2,2,2-Trifluoro-N-[3-(2

Storage

Room temperature

Specifications

Synonyms

3-MPPTS | 23XF3D2L3N | UNII-23XF3D2L3N | LY-508869 | 353229-45-5 | 2, 2, 2-Trifluoro-N-(3-(2-methoxyphenoxy)phenyl)-N-(3-pyridinylmethyl)ethanesulfonamide | Ethanesulfonamide, 2, 2, 2-trifluoro-N-(3-(2-methoxyphenoxy)phenyl)-N-(3-pyridinylmethyl)- | 2, 2, 2-Trifluoro-N-[3-(2

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

ALLOSTERIC MODULATOR

Mechanism of action

Allosteric modulator of mGlu 2 receptor

Names and Identifiers

• Canonical Smiles: COc1ccccc1Oc1cccc(c1)N(S(=O)(=O)CC(F)(F)F)Cc1cccnc1
• IUPAC Name: 2,2,2-trifluoro-N-[3-(2-methoxyphenoxy)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide
• InChIKey: GJWZEUKWBMFOAA-UHFFFAOYSA-N
• INCHI: 1S/C21H19F3N2O4S/c1-29-19-9-2-3-10-20(19)30-18-8-4-7-17(12-18)26(14-16-6-5-11-25-13-16)31(27,28)15-21(22,23)24/h2-13H,14-15H2,1H3
• Isomeric SMILES: COC1=CC=CC=C1OC2=CC=CC(=C2)N(CC3=CN=CC=C3)S(=O)(=O)CC(F)(F)F
• PubChem CID: 10275802

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Diarylethers Sulfanilides Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Pyridines and derivatives Organosulfonamides Organic sulfonamides Aminosulfonyl compounds Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Organofluorides Alkyl fluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diphenylether - Diaryl ether - Sulfanilide - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Pyridine - Organic sulfonic acid amide - Organosulfonic acid amide - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Azacycle - Ether - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Alkyl fluoride - Alkyl halide - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: 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

Associated Targets(Human)

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)