MRZ 2-514 - Moligand™,≥98% , CAS No.202808-11-5

CAS: 202808-11-5 Cat. No.: M651325 Molecular Weight: 308.09 PubChem CID: 9801704

GRADE & PURITY Moligand™, ≥98%

Synonyms

8-Bromo-1,4-dioxo-1,2,3,4-tetrahydropyridazino[4,5-b]quinoline 5-oxide

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

MRZ 2-514 is an antagonist of the strychnine-insensitive modulatory site of the NMDA receptor (glycineB), with K i of 33 μM.

In Vitro

MRZ 2-514 has IC 50 values against peak AMPA-induced currents of 72.7 μM.

In Vivo

MRZ 2/514 has anticonvulsive action in the MES model in mice, and the effect is prolonged by probenecid .

Form:Solid

IC50& Target:Ki: 33 μM (glycineB)

Specifications

Synonyms

8-Bromo-1, 4-dioxo-1, 2, 3, 4-tetrahydropyridazino[4, 5-b]quinoline 5-oxide

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

MRZ 2-514 is an antagonist of the strychnine-insensitive modulatory site of the NMDA receptor (glycineB), with K i of 33 μM.

Storage

Protected from light, 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

ANTAGONIST

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC2=C(C=C1Br)C=C3C(=C(N=NC3=O)O)N2O
• IUPAC Name: 8-bromo-4,5-dihydroxypyridazino[4,5-b]quinolin-1-one
• InChIKey: AXFGZZXFEDISAJ-UHFFFAOYSA-N
• INCHI: 1S/C11H6BrN3O3/c12-6-1-2-8-5(3-6)4-7-9(15(8)18)11(17)14-13-10(7)16/h1-4,17-18H
• Isomeric SMILES: C1=CC2=C(C=C1Br)C=C3C(=C(N=NC3=O)O)N2O
• PubChem CID: 9801704
• Molecular Weight: 308.09

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass Haloquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Haloquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Haloquinolines
• Alternative Parents: Pyridazinones Pyridines and derivatives Benzenoids Aryl bromides Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Haloquinoline - Pyridazinone - Aryl bromide - Aryl halide - Pyridazine - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as haloquinolines. These are compounds containing a quinoline moiety, which is substituted at one or more ring positions by n halogen atom.
• 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

Chemical and Physical Properties

• Sensitivity: light sensitive；
• Molecular Weight: 308.090 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 306.959 Da
• Monoisotopic Mass: 306.959 Da
• Topological Polar Surface Area: 85.500 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 500.000
• 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