Brilliant Blue G - for electrophoresis, ≥70% , CAS No.6104-58-1

CAS: 6104-58-1 Cat. No.: B104241 Formula: C₄₇H₄₈N₃NaO₇S₂ Peso molecolare: 854.02 Beilstein Registry Number: 5230822 Numero EC: 228-058-4

GRADE & PURITY Suitable for electrophoresis, ≥70%

Synonyms

Blu brillante G | (2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-one | BP-30127 | Brilliant Blue G, pure | B3193 | Coomassie Brilliant Blue G | Brillant blue G | bril-lant blue g | Bleu brillant G | C.I. Acid Blue 90 | RWVGQQGBQSJDQV-UHFFFAOYSA-M | Acid Blue

Storage

Desiccated,Room temperature

Shipped In

Normal

Specifications

Sinonimi

Blu brillante G | (2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-one | BP-30127 | Brilliant Blue G, pure | B3193 | Coomassie Brilliant Blue G | Brillant blue G | bril-lant blue g | Bleu brillant G | C.I. Acid Blue 90 | RWVGQQGBQSJDQV-UHFFFAOYSA-M | Acid Blue

Specifiche e purezza

for electrophoresis, ≥70%

Meccanismi biochimici e fisiologici

Potent, non-competitive antagonist of rat and human P2X 7 receptors (IC 50 values are 10 and 200 nM, respectively). Displays >1000-fold selectivity over P2X 4 . IC 50 values for inhibition of the other P2X receptors range from 2 to >30 µM. Rat and human P

Condizioni di conservazione di stoccaggio

Desiccated,Room temperature

Spedito in

Normal

Grado

Adatto all'elettroforesi

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purezza

≥70%

Nomi e identificatori

Pubchem Sid

508815996

Sorrisi canonici

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=C3C)C5=CC=C(C=C5)NC6=CC=C(C=C6)OCC)C.[Na+]

IUPAC Name

sodium;3-[[4-[(E)-[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]-2-methylcyclohexa-2,5-dien-1-ylidene]methyl]-N-ethyl-3-methylanilino]methyl]benzenesulfonate

InChIKey

RWVGQQGBQSJDQV-UHFFFAOYSA-M

INCHI

1S/C47H49N3O7S2.Na/c1-6-49(31-35-11-9-13-43(29-35)58(51,52)53)40-21-25-45(33(4)27-40)47(37-15-17-38(18-16-37)48-39-19-23-42(24-20-39)57-8-3)46-26-22-41(28-34(46)5)50(7-2)32-36-12-10-14-44(30-36)59(54,55)56;/h9-30H,6-8,31-32H2,1-5H3,(H2,51,52,53,54,55,56);/q;+1/p-1

Isomeri SMILES

CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC(=C(C=C2)/C(=C/3\C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3C)/C5=CC=C(C=C5)NC6=CC=C(C=C6)OCC)C.[Na+]

WGK Germania

3

Peso molecolare

854.02

Beilstein

5230822

Reaxy-Rn

9468447

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9468447&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylbenzamines
• Alternative Parents: Diphenylmethanes Aromatic monoterpenoids Benzenesulfonic acids and derivatives Monocyclic monoterpenoids 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Aminophenyl ethers Phenoxy compounds Aminotoluenes Aniline and substituted anilines Benzylamines Dialkylarylamines Aralkylamines Alkyl aryl ethers Azomethines Secondary ketimines Organosulfonic acids Sulfonyls Secondary amines Propargyl-type 1,3-dipolar organic compounds Organic oxides Organic sodium salts Organic zwitterions Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylbenzamine - Diphenylmethane - Monoterpenoid - Benzenesulfonate - Aromatic monoterpenoid - Monocyclic monoterpenoid - Aminophenyl ether - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - Phenol ether - Tertiary aliphatic/aromatic amine - Phenoxy compound - Benzylamine - Dialkylarylamine - Aniline or substituted anilines - Aminotoluene - Toluene - Alkyl aryl ether - Aralkylamine - Secondary ketimine - Azomethine - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Tertiary amine - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Organic 1,3-dipolar compound - Ether - Organic alkali metal salt - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic zwitterion - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic homomonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Punto di fusione (°C): 100°C
• Peso molecolare: 854.000 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 13
• Exact Mass: 853.283 Da
• Monoisotopic Mass: 853.283 Da
• Topological Polar Surface Area: 159.000 Ų
• Heavy Atom Count: 60
• Formal Charge: 0
• Complexity: 1610.000
• 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: 2

XLogP3