PZ-II-029 - Moligand™, ≥98%(HPLC) , Allosteric modulator of GABA A receptor α6 subunit, CAS No.164025-44-9, Allosteric modulator of GABA A receptor α6 subunit

CAS: 164025-44-9 Cat. No.: P287515 Peso molecular: 321.33 Número EC: 803-192-1 PubChem CID: 10426200

GRADE & PURITY Moligand™, ≥98%(HPLC)

Synonyms

BDBM85038 | AKOS032962877 | compound 6 [PMID: 23472852] | PZ II029 | PZ II-029 | 7-methoxy-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one | GTPL12403 | PZII029 | PZ-II029 | PZ-II-029 | PZII-029 | 7-methoxy-2-(4-methoxyphenyl)-2,5-dihydro-3h-pyrazolo

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

BDBM85038 | AKOS032962877 | compound 6 [PMID: 23472852] | PZ II029 | PZ II-029 | 7-methoxy-2-(4-methoxyphenyl)-1H-pyrazolo[4, 3-c]quinolin-3-one | GTPL12403 | PZII029 | PZ-II029 | PZ-II-029 | PZII-029 | 7-methoxy-2-(4-methoxyphenyl)-2, 5-dihydro-3h-pyrazolo

Especificaciones y pureza

Moligand™, ≥98%(HPLC)

Mecanismos bioquímicos y fisiológicos

GABAApositive allosteric modulator. Selectively binds with high affinity to α6β3γ2 subunit-containing channels. Inhibits central and peripheral trigeminal responses in a rat migraine model.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

ALLOSTERIC MODULATOR

Mecanismo de acción

Allosteric modulator of GABA A receptor α6 subunit

Pureza

≥98%(HPLC)

Nombres e identificadores

• Pubchem Sid: 504765458
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765458
• Sonrisas canónicas: COC1=CC=C(C=C1)N2C(=O)C3=CN=C4C=C(C=CC4=C3N2)OC
• IUPAC Name: 7-methoxy-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
• InChIKey: CGOOCGJMECBDCB-UHFFFAOYSA-N
• INCHI: 1S/C18H15N3O3/c1-23-12-5-3-11(4-6-12)21-18(22)15-10-19-16-9-13(24-2)7-8-14(16)17(15)20-21/h3-10,20H,1-2H3
• Isómeros SMILES: COC1=CC=C(C=C1)N2C(=O)C3=CN=C4C=C(C=CC4=C3N2)OC
• WGK Alemania: 3
• CAS alternativo: 164025-44-9
• PubChem CID: 10426200
• Número ONU: 3077
• Grupo de embalaje: III
• Términos de entrada MeSH: 7-methoxy-2-(4-methoxyphenyl)-2,5-dihydro-3H-pyrazolo(4,3-c)quinolin-3-one;pyrazoloquinolinone compound 6;PZ-II-029
• Peso molecular: 321.33

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Pyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrazoles
• Alternative Parents: Quinolines and derivatives Methoxyanilines Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Pyridines and derivatives Pyrazolones Vinylogous amides Heteroaromatic compounds Lactams Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylpyrazole - Quinoline - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Pyrazolinone - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Lactam - Ether - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl 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

Objetivos asociados (humanos)

GABRA6 Tclin Gamma-aminobutyric acid receptor subunit alpha-6 (0 Activities)

Discover Target: GABRA6

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

Propiedades químicas y físicas

• Solubilidad: Solvent:DMSO, Max Conc. mg/mL: 32.13, Max Conc. mM: 100；DMSO: 10 mg/mL, clear
• Peso molecular: 321.300 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 321.111 Da
• Monoisotopic Mass: 321.111 Da
• Topological Polar Surface Area: 63.700 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 466.000
• 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