5-Bromo-4'-chlorosalicylanilide - 10mM in DMSO , CAS No.3679-64-9

CAS: 3679-64-9 Cat. No.: B423648 Peso molecular: 326.57 Número EC: 222-957-5

GRADE & PURITY 10mM in DMSO

Synonyms

Q4973727 | SR-01000872604-2 | BCP24289 | AMY41396 | AS-66607 | Salicylanilide, 5-bromo-4'-chloro- | AC-27860 | MFCD00039236 | EINECS 222-957-5 | Benzamide, 5-bromo-N-(4-chlorophenyl)-2-hydroxy- | BROMOSALICYCHLORANILIDINE | clobromsalan | trimethoxymethyl

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

Multifungin (Bromochlorosalicylanilide) is an antifungal that treats oral candidiasis. Multifungin prevents the formation and accumulation of Zearalenone and reduces the fungal population in stored-crushed corn.

Specifications

Sinónimos

Q4973727 | SR-01000872604-2 | BCP24289 | AMY41396 | AS-66607 | Salicylanilide, 5-bromo-4'-chloro- | AC-27860 | MFCD00039236 | EINECS 222-957-5 | Benzamide, 5-bromo-N-(4-chlorophenyl)-2-hydroxy- | BROMOSALICYCHLORANILIDINE | clobromsalan | trimethoxymethyl

Especificaciones y pureza

10mM in DMSO

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=CC=C1NC(=O)C2=C(C=CC(=C2)Br)O)Cl
• IUPAC Name: 5-bromo-N-(4-chlorophenyl)-2-hydroxybenzamide
• InChIKey: QBSGXIBYUQJHMJ-UHFFFAOYSA-N
• INCHI: 1S/C13H9BrClNO2/c14-8-1-6-12(17)11(7-8)13(18)16-10-4-2-9(15)3-5-10/h1-7,17H,(H,16,18)
• Isómeros SMILES: C1=CC(=CC=C1NC(=O)C2=C(C=CC(=C2)Br)O)Cl
• Peso molecular: 326.57
• Reaxy-Rn: 2812319
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2812319&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Benzanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides
• Direct Parent: Benzanilides
• Alternative Parents: Salicylamides 3-halobenzoic acids and derivatives Benzamides P-bromophenols Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Bromobenzenes Chlorobenzenes Aryl bromides Aryl chlorides Vinylogous acids Secondary carboxylic acid amides Hydrocarbon derivatives Organic oxides Organobromides Organochlorides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzanilide - Salicylamide - Salicylic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - 4-bromophenol - 4-halophenol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Bromobenzene - Chlorobenzene - Halobenzene - Aryl halide - Aryl chloride - Aryl bromide - Vinylogous acid - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organochloride - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
• 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 (humanos)

ADRB1 Tclin Adrenergic receptor beta (1214 Activities)

Discover Target: ADRB1

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

Objetivos asociados (no humanos)

Bifunctional dihydrofolate reductase-thymidylate synthase (22 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 246 °C
• Peso molecular: 326.570 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 324.951 Da
• Monoisotopic Mass: 324.951 Da
• Topological Polar Surface Area: 49.300 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 295.000
• 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

Referencias

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