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 Molecular Weight: 321.33 EC Number: 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

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

Specifications & Purity

Moligand™, ≥98%(HPLC)

Biochemical and Physiological Mechanisms

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

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

ALLOSTERIC MODULATOR

Mechanism of action

Allosteric modulator of GABA A receptor α6 subunit

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 504765458
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765458
• Canonical Smiles: 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
• Isomeric SMILES: COC1=CC=C(C=C1)N2C(=O)C3=CN=C4C=C(C=CC4=C3N2)OC
• WGK Germany: 3
• Alternate CAS: 164025-44-9
• PubChem CID: 10426200
• UN Number: 3077
• Packing Group: III
• MeSH Entry Terms: 7-methoxy-2-(4-methoxyphenyl)-2,5-dihydro-3H-pyrazolo(4,3-c)quinolin-3-one;pyrazoloquinolinone compound 6;PZ-II-029
• Molecular Weight: 321.33

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Associated Targets(Human)

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)

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 32.13, Max Conc. mM: 100；DMSO: 10 mg/mL, clear
• Molecular Weight: 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