Azumolene - ≥98% , CAS No.64748-79-4

CAS: 64748-79-4 Cat. No.: A412853 Fórmula: C₁₃H₉BrN₄O₃ Peso molecular: 349.14

GRAU & PUREZA ≥98%

Synonyms

BA178067 | 1-({[5-(4-BROMOPHENYL)-1,3-OXAZOL-2-YL]METHYLIDENE}AMINO)IMIDAZOLIDINE-2,4-DIONE | SCHEMBL4071383 | AKOS040759535 | Azumoleno | Azumoleno [Spanish] | 5U7IO9CV80 | MS-25385 | Azumolenum | CHEBI:143225 | 2,4-Imidazolidinedione, 1-(((5-(4-bromophe

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Especificações

Sinónimos

BA178067 | 1-({[5-(4-BROMOPHENYL)-1,3-OXAZOL-2-YL]METHYLIDENE}AMINO)IMIDAZOLIDINE-2,4-DIONE | SCHEMBL4071383 | AKOS040759535 | Azumoleno | Azumoleno [Spanish] | 5U7IO9CV80 | MS-25385 | Azumolenum | CHEBI:143225 | 2,4-Imidazolidinedione, 1-(((5-(4-bromophe

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

Azumolene (EU4093 free base), a Dantrolene analog, is a ryanodine receptor (RyR) modulator that inhibits the calcium-release. Azumolene is a muscle relaxant.

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

528776319

Sorrisos canónicos

C1C(=O)NC(=O)N1N=CC2=NC=C(O2)C3=CC=C(C=C3)Br

IUPAC Name

1-[(E)-[5-(4-bromophenyl)-1,3-oxazol-2-yl]methylideneamino]imidazolidine-2,4-dione

InChIKey

SEGCNGONCZQFDW-OMCISZLKSA-N

INCHI

1S/C13H9BrN4O3/c14-9-3-1-8(2-4-9)10-5-15-12(21-10)6-16-18-7-11(19)17-13(18)20/h1-6H,7H2,(H,17,19,20)/b16-6+

SMILES isoméricas

C1C(=O)NC(=O)N1/N=C/C2=NC=C(O2)C3=CC=C(C=C3)Br

Peso molecular

349.14

Reaxy-Rn

690756

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=690756&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azoles
      • Subclass Oxazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azoles
• Subclass: Oxazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenyl-1,3-oxazoles
• Alternative Parents: Hydantoins Alpha amino acids and derivatives 2,5-disubstituted oxazoles Bromobenzenes Semicarbazones Aryl bromides Heteroaromatic compounds Dicarboximides Organic carbonic acids and derivatives Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organobromides Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Hydantoin - Phenyl-1,3-oxazole - Alpha-amino acid or derivatives - 2,5-disubstituted 1,3-oxazole - Halobenzene - Bromobenzene - Aryl bromide - Imidazolidinone - Aryl halide - Monocyclic benzene moiety - Semicarbazone - Benzenoid - Semicarbazide - Imidazolidine - Dicarboximide - Heteroaromatic compound - Carbonic acid derivative - Carboxylic acid derivative - Azacycle - Oxacycle - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenyl-1,3-oxazoles. These are aromatic heterocyclic compounds containing a 1,3-oxazole substituted at one or more positions by 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

Alvos associados (humanos)

CRBN Tclin Protein cereblon (139 Activities)

Discover Target: CRBN

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

Alvos associados (não humanos)

Mus musculus (284745 Activities)

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

Rattus norvegicus (775804 Activities)

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

Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 349.140 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 347.986 Da
• Monoisotopic Mass: 347.986 Da
• Topological Polar Surface Area: 87.800 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: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1