Brilliant Blue G, noncompetitive P2X7 antagonist

Key facts

CAS number

6104-58-1

Form

Solid

form

Molecular weight

854 Da

Molecular formula

C₄₇H₄₈N₃NaO₇S₂

PubChem

61363

Nature

Synthetic

Solubility

Soluble in water to 50 mM

Biochemical name

Coomassie Brilliant Blue G

Biological description

Potent, non-competitive antagonist of rat and human P2X7 receptors (IC50 values are 10 and 200 nM, respectively). Displays >1000-fold selectivity over P2X4. IC50 values for inhibition of the other P2X receptors range from 2 to >30 µM. Rat and human P2X4 receptors show IC50 values of >10 and 3.2 µM, respectively.

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

InChi

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

InChiKey

RWVGQQGBQSJDQV-UHFFFAOYSA-M

IUPAC Name

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