XAP 044 - Moligand™, ≥98%(HPLC) , Allosteric modulator of mGlu 7 receptor, CAS No.196928-50-4, Allosteric modulator of mGlu 7 receptor

CAS: 196928-50-4 Cat. No.: X288039 Formule: C₁₅H₉IO₄ Poids moléculaire: 380.13 PubChem CID: 5428913

GRADE & PURITY Moligand™, ≥98%(HPLC)

Synonyms

7-Hydroxy-3-(4-iodophenoxy)-4H-1-benzopyran-4-one | XAP044 | 7-Hydroxy-3-(4-iodophenoxy)-4H-chromen-4-one

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

XAP044 is a potent and selective antagonist of mGlu7. The metabotropic glutamate receptor subtype 7 (mGlu7) is an important presynaptic regulator of neurotransmission in the mammalian CNS. XAP044 demonstrates good brain exposure and wide spectrum anti-stress and antidepressant- and anxiolytic-like efficacy in rodent behavioral paradigms.

Specifications

Synonymes

7-Hydroxy-3-(4-iodophenoxy)-4H-1-benzopyran-4-one | XAP044 | 7-Hydroxy-3-(4-iodophenoxy)-4H-chromen-4-one

Spécifications et pureté

Moligand™, ≥98%(HPLC)

Mécanismes biochimiques et physiologiques

Potent and selective mGlu7antagonist (IC50= 88 nM); inhibits lateral amygdala long term potentiation (LTP) in brain slices from wild type mice. Displays no effects on the LTP of mGlu7deficient mice. Exhibits novel activity by binding to the mGlu7Venus fly

Conditions de stockage de stockage

Protected from light,Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

ALLOSTERIC MODULATOR

Mécanisme d'action

Allosteric modulator of mGlu 7 receptor

Pureté

≥98%(HPLC)

Noms et identifiants

Sourires canoniques

C1=CC(=CC=C1OC2=COC3=C(C2=O)C=CC(=C3)O)I

IUPAC Name

7-hydroxy-3-(4-iodophenoxy)chromen-4-one

InChIKey

XXZKJJYWINSUMJ-UHFFFAOYSA-N

INCHI

1S/C15H9IO4/c16-9-1-4-11(5-2-9)20-14-8-19-13-7-10(17)3-6-12(13)15(14)18/h1-8,17H

Isomères SMILES

C1=CC(=CC=C1OC2=COC3=C(C2=O)C=CC(=C3)O)I

PubChem CID

5428913

Termes d'entrée MeSH

7-hydroxy-3-(4-iodophenoxy)-4H-chromen-4-one;XAP044 compound

Poids moléculaire

380.13

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzopyrans
      • Subclass 1-benzopyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Not available
• Direct Parent: Chromones
• Alternative Parents: Diarylethers Phenoxy compounds Phenol ethers Pyranones and derivatives Iodobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl iodides Heteroaromatic compounds Oxacyclic compounds Organoiodides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Chromone - Diaryl ether - Phenoxy compound - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Oxacycle - Ether - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organoiodide - Organohalogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as chromones. These are compounds containing a benzopyran-4-one moiety.
• 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

Cibles associées (humaines)

GRM7 Tchem Metabotropic glutamate receptor 7 (1 Activities)

Discover Target: GRM7

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

Propriétés chimiques et physiques

• Solubilité: Solvent:DMSO, Max Conc. mg/mL: 38.01, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 7.6, Max Conc. mM: 20
• Sensibilité: light sensitive
• Poids moléculaire: 380.130 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 379.955 Da
• Monoisotopic Mass: 379.955 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 401.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1