tetrasodium 4-amino-6-[(E)-2-(4-{4-[(E)-2-(8-amino-1-hydroxy-5,7-disulfonatonaphthalen-2-yl)diazen-1-yl]-3-methylphenyl}-2-methylphenyl)diazen-1-yl]-5-hydroxynaphthalene-1,3-disulfonate

• ChemBase ID: 103252
• Molecular Formular: C34H24N6Na4O14S4
• Molecular Mass: 960.80524
• Monoisotopic Mass: 959.9824106
• SMILES: [Na+].[Na+].[Na+].[Na+].Cc1c(ccc(c1)c1cc(C)c(cc1)/N=N/c1c(O)c2c(N)c(cc(c2cc1)S(=O)(=O)[O-])S(=O)(=O)[O-])/N=N/c1c(O)c2c(N)c(cc(c2cc1)S(=O)(=O)[O-])S(=O)(=O)[O-]
• Canonical SMILES: Cc1cc(ccc1/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])c1ccc(c(c1)C)/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
• InChI: InChI=1S/C34H28N6O14S4.4Na/c1-15-11-17(3-7-21(15)37-39-23-9-5-19-25(55(43,44)45)13-27(57(49,50)51)31(35)29(19)33(23)41)18-4-8-22(16(2)12-18)38-40-24-10-6-20-26(56(46,47)48)14-28(58(52,53)54)32(36)30(20)34(24)42;;;;/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4
• InChIKey: ATNOAWAQFYGAOY-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrasodium 4-amino-6-[(E)-2-(4-{4-[(E)-2-(8-amino-1-hydroxy-5,7-disulfonatonaphthalen-2-yl)diazen-1-yl]-3-methylphenyl}-2-methylphenyl)diazen-1-yl]-5-hydroxynaphthalene-1,3-disulfonate; tetrasodium 4-amino-6-[2-(4-{4-[2-(8-amino-1-hydroxy-5,7-disulfonatonaphthalen-2-yl)diazen-1-yl]-3-methylphenyl}-2-methylphenyl)diazen-1-yl]-5-hydroxynaphthalene-1,3-disulfonate
• IUPAC Traditional name: tetrasodium 4-amino-6-[(E)-2-(4-{4-[(E)-2-(8-amino-1-hydroxy-5,7-disulfonatonaphthalen-2-yl)diazen-1-yl]-3-methylphenyl}-2-methylphenyl)diazen-1-yl]-5-hydroxynaphthalene-1,3-disulfonate; tetrasodium 4-amino-6-[2-(4-{4-[2-(8-amino-1-hydroxy-5,7-disulfonatonaphthalen-2-yl)diazen-1-yl]-3-methylphenyl}-2-methylphenyl)diazen-1-yl]-5-hydroxynaphthalene-1,3-disulfonate; tetrapotassium 4-amino-6-[2-(4-{4-[2-(8-amino-1-hydroxy-5,7-disulfonatonaphthalen-2-yl)diazen-1-yl]-3-methylphenyl}-2-methylphenyl)diazen-1-yl]-5-hydroxynaphthalene-1,3-disulfonate
• Synonyms: Evans Blue; C.I. 23860; Direct Blue 53; EVANS BLUE; 伊文思蓝

Database IDs

• CAS Number: 314-13-6
• EC Number: 206-242-5
• MDL Number: MFCD00004021
• Merck Index: 143905
• PubChem SID: 24869872; 24894456; 24852394; 162091319
• PubChem CID: 9566057
• Color Index Number: 23860

CALCULATED PROPERTIES

• Acid pKa: -3.2411077
• H Acceptors: 20
• H Donor: 4
• LogD (pH = 5.5): -3.6088984
• LogD (pH = 7.4): -3.60896
• Log P: -2.6941774
• Molar Refractivity: 214.1808 cm^3
• Polarizability: 83.9005 Å^3
• Polar Surface Area: 370.74 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Absorption Wavelength: λmax 611 nm

Safety Information

• Storage Condition: Room Temperature (15-30°C), Desiccate
• RTECS: QJ6440000
• European Hazard Symbols: Toxic (T); X
• German water hazard class: 3
• Risk Statements: 40; 45
• Safety Statements: 36/37; 53-45
• TSCA Listed: 是
• GHS Pictograms: GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H350; H351
• GHS Precautionary statements: P201-P308 + P313; P281-P201-P202-P308+P313-P405-P501A

Pharmacology Properties

• Gene Information: human ... PTPN1(5770), PTPRF(5792)

Product Information

• Purity: Dye Content ~85%
• Grade: for microscopy (Med., Vit.)
• Compostion: Dye content, ≥75%; Dye content, 85%
• Empirical Formula (Hill Notation): C34H24N6Na4O14S4

DETAILS

MP Biomedicals - 02151108

Dye content: ~85%
Reportedly used in double-labeling procedure for studying axonal branching.

Sigma Aldrich - E2129

Frequently Asked Questions
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包装
10, 50, 100 g in glass bottle

REFERENCES

• Science, 204: 873 (1979).