Irampanel , Sodium channel alpha subunit blocker, CAS No.206260-33-5, Sodium channel alpha subunit blocker

CAS: 206260-33-5 Cat. No.: I670995 Peso molecular: 309.4 PubChem CID: 3038472

Synonyms

Irampanel | ETHANAMINE,N,N-DIMETHYL-2-[2-(3-PHENYL-1,2,4-OXADIAZOL-5-YL)PHENOXY]- | IRAMPANEL [WHO-DD] | BIIR-561 Cl | AKOS040748592 | BIIR 561 | DTXSID30174647 | UNII-R2GZD7LMYX | Q19597602 | Irampanel [INN] | SCHEMBL678128 | 5-(o-(2-(Dimethylamino)ethox

Storage

Room temperature

Specifications

Sinónimos

Irampanel | ETHANAMINE, N, N-DIMETHYL-2-[2-(3-PHENYL-1, 2, 4-OXADIAZOL-5-YL)PHENOXY]- | IRAMPANEL [WHO-DD] | BIIR-561 Cl | AKOS040748592 | BIIR 561 | DTXSID30174647 | UNII-R2GZD7LMYX | Q19597602 | Irampanel [INN] | SCHEMBL678128 | 5-(o-(2-(Dimethylamino)ethox

Condiciones de almacenamiento de almacenamiento

Room temperature

Tipo de acción

ANTAGONIST

Mecanismo de acción

Sodium channel alpha subunit blocker

Propiedades del producto

• ALogP: 3.5

Nombres e identificadores

• Sonrisas canónicas: CN(C)CCOC1=CC=CC=C1C2=NC(=NO2)C3=CC=CC=C3
• IUPAC Name: N,N-dimethyl-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]ethanamine
• InChIKey: QZULPCPLWGCGSL-UHFFFAOYSA-N
• INCHI: 1S/C18H19N3O2/c1-21(2)12-13-22-16-11-7-6-10-15(16)18-19-17(20-23-18)14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3
• Isómeros SMILES: CN(C)CCOC1=CC=CC=C1C2=NC(=NO2)C3=CC=CC=C3
• PubChem CID: 3038472
• Peso molecular: 309.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Oxadiazoles
        • Level5 1,2,4-oxadiazoles
          • Level6 Phenyloxadiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Oxadiazoles
• Intermediate Tree Nodes: 1,2,4-oxadiazoles
• Direct Parent: Phenyloxadiazoles
• Alternative Parents: Phenoxy compounds Phenol ethers Alkyl aryl ethers Heteroaromatic compounds Trialkylamines Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenyl-1,2,4-oxadiazole - Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Ether - Oxacycle - Azacycle - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenyloxadiazoles. These are polycyclic aromatic compounds containing a benzene ring linked to a 1,2,4-oxadiazole ring through a CC or CN bond.
• 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 (no humanos)

Mus musculus (284745 Activities)

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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 309.400 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 309.148 Da
• Monoisotopic Mass: 309.148 Da
• Topological Polar Surface Area: 51.400 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 347.000
• 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