YM 90K hydrochloride - ≥98% , CAS No.154164-30-4

CAS: 154164-30-4 Cat. No.: Y287343 Molecular Weight: 309.67 PubChem CID: 5486547

GRADE & PURITY ≥98%

Synonyms

BCP06490 | ym 900 | Benzenamide, 2-bromo-4,6-dinitro- | YM 90K hydrochloride | FT-0758749 | HY-15071 | SCHEMBL254528 | YM90K hydrochloride | YM-90K hydrochloride | 6-(1H-imidazol-1-yl)-7-nitro-2,3(1H,4H)- | DTXSID00165547 | 6-(1h-imidazol-1-yl)-7-nitro-2,

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

BCP06490 | ym 900 | Benzenamide, 2-bromo-4, 6-dinitro- | YM 90K hydrochloride | FT-0758749 | HY-15071 | SCHEMBL254528 | YM90K hydrochloride | YM-90K hydrochloride | 6-(1H-imidazol-1-yl)-7-nitro-2, 3(1H, 4H)- | DTXSID00165547 | 6-(1h-imidazol-1-yl)-7-nitro-2,

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Selective AMPA receptor antagonist (Kivalues are 84, 2200 and > 37000 nM for AMPA, kainate and NMDA receptors respectively). Neuroprotective; delays neuronal death in a global ischemia model and cerebral infarction in a focal ischemia model following post

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

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

Action Type

ANTAGONIST

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504763879
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763879
• Canonical Smiles: C1=CN(C=N1)C2=C(C=C3C(=C2)NC(=O)C(=O)N3)[N+](=O)[O-].Cl
• IUPAC Name: 6-imidazol-1-yl-7-nitro-1,4-dihydroquinoxaline-2,3-dione;hydrochloride
• InChIKey: UMLFDVOHVJPDIZ-UHFFFAOYSA-N
• INCHI: 1S/C11H7N5O4.ClH/c17-10-11(18)14-7-4-9(16(19)20)8(3-6(7)13-10)15-2-1-12-5-15;/h1-5H,(H,13,17)(H,14,18);1H
• Isomeric SMILES: C1=CN(C=N1)C2=C(C=C3C(=C2)NC(=O)C(=O)N3)[N+](=O)[O-].Cl
• PubChem CID: 5486547
• Molecular Weight: 309.67

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinoxalines
• Alternative Parents: Nitroaromatic compounds Pyrazines N-substituted imidazoles Benzenoids Heteroaromatic compounds Lactams Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic zwitterions Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoxaline - Nitroaromatic compound - N-substituted imidazole - Pyrazine - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Lactam - C-nitro compound - Organic nitro compound - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Hydrochloride - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic salt - Organic zwitterion - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as quinoxalines. These are compounds containing a quinoxaline moiety, a bicyclic heterocycle made up of a benzene ring fused to a pyrazine ring.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 3.1, Max Conc. mM: 10 with gentle warming
• Molecular Weight: 309.660 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 309.026 Da
• Monoisotopic Mass: 309.026 Da
• Topological Polar Surface Area: 122.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 451.000
• 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: 2

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