LAU159 - Moligand™, ≥97% , Allosteric modulator of GABA A receptor α6 subunit, CAS No.2055050-87-6, Allosteric modulator of GABA A receptor α6 subunit

CAS: 2055050-87-6 Cat. No.: L412411 Summenformel: C₁₇H₁₂ClN₃O₂ Molekulargewicht: 325.7 PubChem CID: 124111373

GRADE & PURITY Moligand™, ≥97%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Information

LAU159 is a potent functionally selective positive modulator of α1β3 GABA(A) receptor with EC50 of 2.2 μM.

Specifications

Spezifikationen & Reinheit

Moligand™, ≥97%

Biochemische und physiologische Mechanismen

LAU159 is a potent functionally selective positive modulator of α1β3\xa0GABA(A)\xa0receptor with\xa0EC50\xa0of 2.2 μM.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Aktionsart

ALLOSTERIC MODULATOR

Mechanismus der Wirkung

Allosteric modulator of GABA A receptor α6 subunit

Reinheit

≥97%

Namen und Kennungen

• Kanonisches Lächeln: COC1=CC=CC(=C1)N2C(=O)C3=CN=C4C=CC(=CC4=C3N2)Cl
• IUPAC Name: 8-chloro-2-(3-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
• InChIKey: PAQDEKQVYZRUSQ-UHFFFAOYSA-N
• INCHI: 1S/C17H12ClN3O2/c1-23-12-4-2-3-11(8-12)21-17(22)14-9-19-15-6-5-10(18)7-13(15)16(14)20-21/h2-9,20H,1H3
• Isomere SMILES: COC1=CC=CC(=C1)N2C(=O)C3=CN=C4C=CC(=CC4=C3N2)Cl
• PubChem CID: 124111373
• Molekulargewicht: 325.7

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrazoles
• Alternative Parents: Haloquinolines Pyrazolopyridines Phenoxy compounds Methoxybenzenes Anisoles Methylpyridines Alkyl aryl ethers Vinylogous amides Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Haloquinoline - Phenylpyrazole - Quinoline - Pyrazolopyridine - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - Methylpyridine - Alkyl aryl ether - Benzenoid - Pyridine - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Lactam - Azacycle - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
• Beschreibung: 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

Zugehörige Ziele (menschlich)

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)

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Liver (3974 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GABRG2 Tclin GABA-A receptor; alpha-3/beta-3/gamma-2 (1250 Activities)

Discover Target: GABRG2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GABRA1 Tclin GABA-A receptor; alpha-1/beta-3/gamma-2 (1565 Activities)

Discover Target: GABRA1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GABRG2 Tclin GABA-A receptor; alpha-5/beta-3/gamma-2 (1334 Activities)

Discover Target: GABRG2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GABRG2 Tclin GABA-A receptor; alpha-2/beta-3/gamma-2 (949 Activities)

Discover Target: GABRG2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GABRG2 Tclin GABA-A receptor; alpha-6/beta-3/gamma-2 (367 Activities)

Discover Target: GABRG2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Zugehörige Ziele (nicht menschlich)

Mus musculus (284745 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 325.700 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 325.062 Da
• Monoisotopic Mass: 325.062 Da
• Topological Polar Surface Area: 54.500 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 463.000
• 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