trisodium 1-amino-4-{[4-({4-chloro-6-[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)-3-sulfonatophenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate

• ChemBase ID: 130883
• Molecular Formular: C29H17ClN7Na3O11S3
• Molecular Mass: 840.10289
• Monoisotopic Mass: 838.95297792
• SMILES: c1ccc2c(c1)C(=O)c1c(cc(c(c1C2=O)N)S(=O)(=O)[O-])Nc1ccc(c(c1)S(=O)(=O)[O-])Nc1nc(nc(n1)Cl)Nc1cccc(c1)S(=O)(=O)[O-].[Na+].[Na+].[Na+]
• Canonical SMILES: [O-]S(=O)(=O)c1cc(ccc1Nc1nc(Cl)nc(n1)Nc1cccc(c1)S(=O)(=O)[O-])Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)[O-].[Na+].[Na+].[Na+]
• InChI: InChI=1S/C29H20ClN7O11S3.3Na/c30-27-35-28(33-13-4-3-5-15(10-13)49(40,41)42)37-29(36-27)34-18-9-8-14(11-20(18)50(43,44)45)32-19-12-21(51(46,47)48)24(31)23-22(19)25(38)16-6-1-2-7-17(16)26(23)39;;;/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37);;;/q;3*+1/p-3
• InChIKey: VZPXDCIISFTYOM-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: trisodium 1-amino-4-{[4-({4-chloro-6-[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)-3-sulfonatophenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
• IUPAC Traditional name: trisodium 1-amino-4-{[4-({4-chloro-6-[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)-3-sulfonatophenyl]amino}-9,10-dioxoanthracene-2-sulfonate
• Synonyms: Cibacron Blue 3GA Agarose; 汽巴蓝 3GA 琼脂糖

Database IDs

• MDL Number: MFCD00043102
• PubChem SID: 24892397; 24892421; 162225161; 24893051; 24892368; 24892411; 24892312
• PubChem CID: 9875920

CALCULATED PROPERTIES

• Acid pKa: -5.5023346
• H Acceptors: 18
• H Donor: 4
• LogD (pH = 5.5): -1.076469
• LogD (pH = 7.4): -1.078287
• Log P: -1.0826225
• Molar Refractivity: 181.6666 cm^3
• Polarizability: 69.83066 Å^3
• Polar Surface Area: 306.52 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: lyophilized powder; saline suspension

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves; Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Binding Capacity: ≥15 mg/mL binding capacity (human serum albumin); ≥5 mg/mL binding capacity (bovine serum albumin); 0.5-3 mg/mL binding capacity (bovine serum albumin); 1,000-4,000 units/mL binding capacity (lactic dehydrogenase); 10-20 mg/mL binding capacity (bovine serum albumin); 1-5 mg/mL binding capacity (bovine serum albumin); 2,000-8,000 units/mL binding capacity (lactic dehydrogenase); 2000-8,000 units/mL binding capacity (lactic dehydrogenase); 5-15 mg/mL binding capacity (aldolase); 6-10 mg/mL binding capacity (bovine serum albumin); 8-15 mg/mL binding capacity (bovine serum albumin)
• Extent of Labeling: ≥6 μmol per mL; 0.05-0.2 μmol per mL; 0.2-0.5 μmol per mL; 0.8-1.2 μmol per mL; 2-5 μmol per mL; 2-6 μmol per per mL; 8-15 μmol per mL
• Type: Type 100; Type 300; Type 3000; Type 3000-CL
• Matrix: 4% beaded agarose; Cross-linked 4% beaded agarose; cross-linked 4% beaded agarose; Fast flow highly cross-linked 6% agarose
• Matrix Spacer: 21 atoms
• Matrix Activation: epoxy
• Matrix Attachment: triazine coupling

DETAILS

Sigma Aldrich - C1285

Physical form
含 0.02% 硫柳汞的 0.5M NaCl 中的悬浮液

Sigma Aldrich - C1160

Physical form
Suspension in 0.5 M NaCl containing 0.02% thimerosal

Sigma Aldrich - C1535

Physical form
Suspension in 0.5 M NaCl containing 0.02% thimerosal
Application
Cibacron Blue 3GA-agarose is an agarose conjugate in saline suspension used in affinity chromatography, protein chromatography and dye resins.

Sigma Aldrich - C1660

Quantity
Swelling: 1 g swells to approx. 5 ml
Physical form
Stabilized with lactose

Sigma Aldrich - C0910

Physical form
Suspension in 0.5 M NaCl containing 0.02% thimerosal

Sigma Aldrich - C1035

Physical form
Suspension in 0.5 M NaCl containing 0.02% thimerosal

Sigma Aldrich - C8321

Physical form
Suspension in 0.5 M NaCl containing 0.02% thimerosal
Application
Cibacron Blue 3GA-agarose is an agarose conjugate in saline suspension used in affinity chromatography, protein chromatography and dye resins.

Sigma Aldrich - C1410

Quantity
Swelling: 1 g swells to approx. 5 ml
Physical form
Stabilized with lactose

Sigma Aldrich - C1461

Physical form
Suspension in 0.05 M NaCl containing 0.02% thimerosal