CAS 314-13-6|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|EVANS B...

General Information

Structure

Molecular Formula

C₃₄H₂₄N₆Na₄O₁₄S₄

Molecular Mass

960.80524

Exact Mass

959.9824106

Charge

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

Canonic Smiles

Cc1cc(ccc1N=Nc1ccc2c(c1O)c(N)c(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])c1ccc(c(c1)C)N=Nc1ccc2c(c1O)c(N)c(cc2S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric 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-]

Calculated Properties

JChem

LogD (pH = 7.4)

-3.61

LogD (pH = 5.5)

-3.61

Log P

-2.69

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

false

Acid pKa

-3.24

Polar Surface Area

370.74

Polarizability

85.08

Molar Refractivity

214.18

LOG S

-6.71

Data Source

Names and Identifiers

IUPAC name

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 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'-[2-(8-amino-1-hydroxy-5,7-disulfonatonaphthalen-2-yl)diazen-1-yl]-3,3'-dimethyl-[1,1'-biphenyl]-4-yl}diazen-1-yl)-5-hydroxynaphthalene-1,3-disulfonate

Synonyms

EVANS BLUEDirect Blue 53C.I. 23860Evans Blue伊文思蓝direct blue 53C.I. Direct Blue 53C.I. 238604,4'-Bis(7-(1-amino-8-hydroxy-2,4-disulpho)naphthylazo)-3,3'-bitolyl, tetrasodium saltEvans blue4,4'-Bis(7-(1-amino-8-hydroxy-2,4-disulfo)naphthylazo)-3,3'-bitolyl, tetrasodium salt4,4'-Bis(1-amino-8-hydroxy-2,4-disulpho-7-naphthylazo)-3,3'-bitolyl, tetrasodium saltC.I. direct blue 53 tetrasodium salt4,4'-Bis(1-amino-8-hydroxy-2,4-disulfo-7-naphthylazo)-3,3'-bitolyl, tetrasodium saltazovan blue

IUPAC Traditional name

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 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 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'-[2-(8-amino-1-hydroxy-5,7-disulfonatonaphthalen-2-yl)diazen-1-yl]-3,3'-dimethyl-[1,1'-biphenyl]-4-yl}diazen-1-yl)-5-hydroxynaphthalene-1,3-disulfonate

Names and Identifiers

Registration numbers

CAS Number

314-13-6

EC Number

206-242-5

PubChem SID

248944561620913192485239424869872223448108

Color Index Number

MDL Number

PubChem CID

Merck Index

Wikipedia Title

CHEBI ID

CHEBI:87630CHEBI:82467

BKMS React Database

112046

BRENDA Database

2.5.1.18

MetaboLights Database

MTBLS379

Reaxys Registry

7110511

BRENDA Ligand Database

112046

KEGG ID

C19422

Registration numbers

Properties

Product Information

Purity

Dye Content ~85%

Certificate of Analysis

Download link

Compostion

Dye content, ≥75%

Dye content, 85%

Empirical Formula (Hill Notation)

C34H24N6Na4O14S4

Grade

for microscopy (Med., Vit.)

Pharmacology Properties

Gene Information

human ... PTPN1(5770), PTPRF(5792)

Physical Property

Absorption Wavelength

λmax 611 nm

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule 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

ChEBI

CHEBI:82467

An organic sodium salt that is the tetrasodium salt of 6,6'-{(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis[diazene-2,1-diyl]}bis(4-amino-5-hydroxynaphthalene-1,3-disulfonate). It is sometimes used as a counterstain, especially in fluorescent methods to suppress background autofluorescence.

Molecule Details

References

PubChem Literature

From Data Sources

• Science, 204: 873 (1979).

References

Bioactivity

PubChem BioAssay

Bioactivity