Brilliant Blue R - AR , CAS No.6104-59-2

CAS: 6104-59-2 Cat. No.: B105004 Peso molecular: 825.97 Beilstein Registry Number: 5718025 Número EC: 228-060-5

GRADE & PURITY AR

Synonyms

Benzenemethanaminium, N-(4-((4-((4-ethoxyphenyl)amino)phenyl)(4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-3-sulfo-, hydroxide, inner salt, monosodium salt | Brilliant blue R; Coomassie brilliant blue R-250;

Storage

Desiccated,Room temperature

Shipped In

Normal

Descripción general

application：

Brilliant Blue R is used for detection of protein bands following electrophoresis. It is a sensitive stain for protein detection in polyacrylamide gels, typically giving blue bands on a clear background with a sensitivity of 50-100 ng/band. It may be combined with other stains, such as silver stain, to distinguish different types of proteins. It displays metachromasia by appearing pink-red, rather than blue, when binding certain proteins, such as collagen and histone H1.

Specifications

Sinónimos

Benzenemethanaminium, N-(4-((4-((4-ethoxyphenyl)amino)phenyl)(4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)methylene)-2, 5-cyclohexadien-1-ylidene)-N-ethyl-3-sulfo-, hydroxide, inner salt, monosodium salt | Brilliant blue R; Coomassie brilliant blue R-250;

Especificaciones y pureza

AR

Condiciones de almacenamiento de almacenamiento

Desiccated, Room temperature

Enviado en

Normal

Grado

AR

Nombres e identificadores

• Pubchem Sid: 488183487
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183487
• Sonrisas canónicas: CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=CC=C(C=C5)NC6=CC=C(C=C6)OCC.[Na+]
• IUPAC Name: sodium;3-[[4-[[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethylanilino]methyl]benzenesulfonate
• InChIKey: NKLPQNGYXWVELD-UHFFFAOYSA-M
• INCHI: 1S/C45H45N3O7S2.Na/c1-4-47(31-33-9-7-11-43(29-33)56(49,50)51)40-23-15-36(16-24-40)45(35-13-19-38(20-14-35)46-39-21-27-42(28-22-39)55-6-3)37-17-25-41(26-18-37)48(5-2)32-34-10-8-12-44(30-34)57(52,53)54;/h7-30H,4-6,31-32H2,1-3H3,(H2,49,50,51,52,53,54);/q;+1/p-1
• Isómeros SMILES: CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=CC=C(C=C5)NC6=CC=C(C=C6)OCC.[Na+]
• WGK Alemania: 3
• Peso molecular: 825.97
• Beilstein: 5718025
• Reaxy-Rn: 6953757
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6953757&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Phenylmethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylbenzamines
• Alternative Parents: Diphenylmethanes Benzenesulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Aminophenyl ethers Benzenesulfonyl compounds Aniline and substituted anilines Phenoxy compounds Benzylamines Dialkylarylamines Alkyl aryl ethers Aralkylamines Sulfonyls Secondary ketimines Organosulfonic acids Azomethines Propargyl-type 1,3-dipolar organic compounds Secondary amines Organopnictogen compounds Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylbenzamine - Diphenylmethane - Benzenesulfonate - Aminophenyl ether - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Phenoxy compound - Tertiary aliphatic/aromatic amine - Benzylamine - Phenol ether - Aniline or substituted anilines - Dialkylarylamine - Alkyl aryl ether - Aralkylamine - Azomethine - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Organic sulfonic acid or derivatives - Secondary ketimine - Tertiary amine - Ether - Organic alkali metal salt - Secondary amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic sodium salt - Organic salt - Organic oxygen compound - Organopnictogen compound - Organic zwitterion - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylbenzamines. These are aromatic compounds consisting of a benzyl group that is N-linked to a benzamine.
• 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)

SH-SY5Y (11521 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

• Solubilidad: insoluble in H2O; ≥2.08 mg/mL in EtOH with ultrasonic; ≥3.8 mg/mL in DMSO with gentle warming and ultrasonic
• Punto de fusión (°C): 174-180°C
• Peso molecular: 826.000 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 13
• Exact Mass: 825.252 Da
• Monoisotopic Mass: 825.252 Da
• Topological Polar Surface Area: 159.000 Ų
• Heavy Atom Count: 58
• Formal Charge: 0
• Complexity: 1500.000
• 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

XLogP3

Referencias

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