Azumolene - ≥98% , CAS No.64748-79-4

CAS: 64748-79-4 Cat. No.: A412853 分子式: C₁₃H₉BrN₄O₃ 分子量: 349.14

グレード＆純度 ≥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

仕様

同義語

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

仕様と純度

≥98%

生化学的・生理学的メカニズム

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

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

パブケム・シド

528776319

カノニカル・スマイル

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+

異性体SMILES

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

分子量

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
    • 分類 Azoles
      • Subclass Oxazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

関連ターゲット（人間）

CRBN Tclin Protein cereblon (139 Activities)

Discover Target: CRBN

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

関連ターゲット（非人間）

Mus musculus (284745 Activities)

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Rattus norvegicus (775804 Activities)

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作用メカニズム

化学的性質と物理的性質

• 分子量: 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