sodium 3-({[4-({4-[(4-ethoxyphenyl)amino]phenyl}(4-{ethyl[(3-sulfonatophenyl)methyl]iminiumyl}cyclohexa-2,5-dien-1-ylidene)methyl)phenyl](ethyl)amino}methyl)benzene-1-sulfonate

• ChemBase ID: 106686
• Molecular Formular: C45H44N3NaO7S2
• Molecular Mass: 825.96653
• Monoisotopic Mass: 825.25183704
• SMILES: CCN(Cc1cc(ccc1)S(=O)(=O)[O-])c1ccc(cc1)/C(=C/1\C=C/C(=[N+](\CC)/Cc2cc(ccc2)S(=O)(=O)[O-])/C=C1)/c1ccc(cc1)Nc1ccc(cc1)OCC.[Na+]
• Canonical SMILES: CCOc1ccc(cc1)Nc1ccc(cc1)/C(=C\1/C=C/C(=[N+](/Cc2cccc(c2)S(=O)(=O)[O-])\CC)/C=C1)/c1ccc(cc1)N(Cc1cccc(c1)S(=O)(=O)[O-])CC.[Na+]
• InChI: 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
• InChIKey: NKLPQNGYXWVELD-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium 3-({[4-({4-[(4-ethoxyphenyl)amino]phenyl}(4-{ethyl[(3-sulfonatophenyl)methyl]iminiumyl}cyclohexa-2,5-dien-1-ylidene)methyl)phenyl](ethyl)amino}methyl)benzene-1-sulfonate
• IUPAC Traditional name: sodium 3-({[4-({4-[(4-ethoxyphenyl)amino]phenyl}(4-{ethyl[(3-sulfonatophenyl)methyl]iminio}cyclohexa-2,5-dien-1-ylidene)methyl)phenyl](ethyl)amino}methyl)benzenesulfonate
• Synonyms: COOMASSIE® BRILLIANT BLUE G-250; C.I. 42660, C.I. Acid Blue 83; Brilliant indocyanine 6B, Brillantindocyanin 6B; Brilliant Cyanine 6B, Serva Blue R; Coomassie Brilliant Blue; Page blue 83; Brilliant Blue R Concentrate; Brilliant Blue R; Brilliant Blue R Staining Solution; Acid Blue 83; Brilliant Blue R; Brilliant indocyanin 6B; Coomassie Brilliant Blue R; PhastGel® Blue R

Database IDs

• CAS Number: 6104-59-2
• EC Number: 228-060-5
• MDL Number: MFCD00041762
• Beilstein Number: 5718025
• PubChem SID: 24892031; 24892085; 24891914; 24891505; 162087309; 24891803; 24856511
• PubChem CID: 61365
• Wikipedia Title: Coomassie_Brilliant_Blue
• Color Index Number: 42660

CALCULATED PROPERTIES

• Acid pKa: -2.2127464
• H Acceptors: 9
• H Donor: 1
• LogD (pH = 5.5): 5.1838417
• LogD (pH = 7.4): 5.0993123
• Log P: 4.8810997
• Molar Refractivity: 248.9973 cm^3
• Polarizability: 87.853134 Å^3
• Polar Surface Area: 141.91 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Insoluble in cold, slightly soluble in hot (bright red blue) in water; Slightly soluble in ethanol
• Apperance: ethanol solution; methanol solution
• Flash Point: 14 °C; 27 °C; 57.2 °F; 80.6 °F
• Absorption Wavelength: λmax 588 nm

Safety Information

• European Hazard Symbols: Flammable (F); Toxic (T); Irritant (Xi)
• UN Number: 1170; 1230
• German water hazard class: 2; 3
• Hazard Class: 3
• Packing Group: 2; 3
• Risk Statements: 10-36/38; 11-23/24/25-36/38-39/23/24/25
• Safety Statements: 16-26-36/37-45; 26
• GHS Pictograms: GHS02; GHS06; GHS07; GHS08
• GHS Signal Word: Danger; Warning
• GHS Hazard statements: H225-H301 + H311 + H331-H315-H319-H370; H226-H315-H319
• GHS Precautionary statements: P210-P260-P280-P301 + P310-P305 + P351 + P338-P311; P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter; Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1170 3/PG 3; UN 1230 3/PG 2

Product Information

• Grade: ELECTROPHORESIS; for microscopy
• Compostion: Dye content, ~50%; Dye content, 50%
• Suitability: suitable for SDS-PAGE
• Empirical Formula (Hill Notation): C45H44N3NaO7S2

DETAILS

MP Biomedicals - 04808274

(Brilliant Blue G) Electrophoresis Grade Useful dye for SDS gels as it readily stains proteins with minimal background color. Protein bands can be visualized during staining. *Trademark of Imperial Chemical Industries, Ltd.

Sigma Aldrich - 27816

Application
For detection of protein bands following electrophoresis.
Other Notes
Protein stain for gel electrophoresis; 5 to 10 times more sensitive than Naphthol Blue Black B and Bromophenol (as little as 0.5 μg/cm2 of protein could be detected in a gel matrix)1,2

Sigma Aldrich - 379204

Application
For detection of protein bands following electrophoresis.

Sigma Aldrich - 75970

Application
For detection of protein bands following electrophoresis.

Sigma Aldrich - B6529

Components
0.5% (w/v) Brilliant Blue R, 45% (v/v) ethanol and 10% (v/v) acetic acid.
Analysis Note
Tested for suitability on agarose gels following immunoelectrophoresis.
Application
Brilliant Blue R staining solution is especially designed for use in staining protein in agarose gels following immunoelectrophoresis and Ouchterlony gels. The stain contains ethanol and acetic acid so gels do not require fixing prior to staining. The immunoelectrophoresis or Ouchterlony gel is first washed with water and saline to remove non-precipitated proteins and then dried. The gel is then immersed in staining solution for 30 min and destained with 10% acetic acid.
For detection of protein bands following electrophoresis.

Sigma Aldrich - B4921

Application
Detects most proteins at 50-100 ng per band
For detection of protein bands following electrophoresis.
Reconstitution
One tablet makes 400 mL of a 0.1% staining solution.
法律信息
PhastGel is a registered trademark of GE Healthcare

Sigma Aldrich - B8647

Application
Brilliant Blue R concentrate is a methanol based stain especially designed for staining protein in polyacrylamide but will also stain agarose gels. The stain contains methanol and acetic acid so gels do not require fixing prior to staining.
For detection of protein bands following electrophoresis.
Reconstitution
After dilution with deionized water to a final volume of one liter, solution will contain 0.25% (w/v) Brilliant Blue R, 40% (v/v) methanol and 7% (v/v) acetic acid.

Sigma Aldrich - B0149

Application
For detection of protein bands following electrophoresis.
包装
5, 25, 100, 500 g in glass bottle

Sigma Aldrich - B7920

Application
For detection of protein bands following electrophoresis.