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

• ChemBase ID: 133534
• Molecular Formular: C34H24N6Na4O16S4
• Molecular Mass: 992.80404
• Monoisotopic Mass: 991.97223984
• SMILES: COc1c(ccc(c1)c1cc(c(cc1)/N=N/c1c(c2c(c(cc(c2cc1)S(=O)(=O)[O-])S(=O)(=O)[O-])N)O)OC)/N=N/c1c(c2c(c(cc(c2cc1)S(=O)(=O)[O-])S(=O)(=O)[O-])N)O.[Na+].[Na+].[Na+].[Na+]
• Canonical SMILES: COc1cc(ccc1/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])c1ccc(c(c1)OC)/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
• InChI: InChI=1S/C34H28N6O16S4.4Na/c1-55-23-11-15(3-7-19(23)37-39-21-9-5-17-25(57(43,44)45)13-27(59(49,50)51)31(35)29(17)33(21)41)16-4-8-20(24(12-16)56-2)38-40-22-10-6-18-26(58(46,47)48)14-28(60(52,53)54)32(36)30(18)34(22)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/b39-37+,40-38+
• InChIKey: BPHHNXJPFPEJOF-GPTZEZBUSA-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-methoxyphenyl}-2-methoxyphenyl)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-methoxyphenyl}-2-methoxyphenyl)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-methoxyphenyl}-2-methoxyphenyl)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-methoxyphenyl}-2-methoxyphenyl)diazen-1-yl]-5-hydroxynaphthalene-1,3-disulfonate
• Synonyms: Direct Blue 1; Pontamine sky blue; Chicago Sky Blue 6B; C.I. 24410; 芝加哥天蓝6B

Database IDs

• CAS Number: 2610-05-1
• EC Number: 220-026-8
• MDL Number: MFCD00004020
• PubChem SID: 162227811; 24893095
• PubChem CID: 5359775
• Color Index Number: 24410

CALCULATED PROPERTIES

• Acid pKa: -3.301087
• H Acceptors: 22
• H Donor: 4
• LogD (pH = 5.5): -4.951083
• LogD (pH = 7.4): -4.9511456
• Log P: -4.129445
• Molar Refractivity: 217.0248 cm^3
• Polarizability: 85.49269 Å^3
• Polar Surface Area: 389.2 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: H2O: soluble1 mg/mL
• Apperance: brown powder
• Absorption Wavelength: λmax 618 nm

Safety Information

• RTECS: QJ6430000
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22
• Safety Statements: 22-36; 9-36/37-60
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H311-H332; H302-H312; H302-H312-H332
• GHS Precautionary statements: P261-P301+P310-P361-P302+P352-P405-P501A; P280

Product Information

• Compostion: Dye content, ~80%; Dye content, 50%
• Empirical Formula (Hill Notation): C34H24N6Na4O16S4

DETAILS

Sigma Aldrich - C8679

Application
A counterstain for background autofluorescence in fluorescence and immunofluorescence histochemistry.
Biochem/physiol Actions
Large organic acid, structurally related to glutamate, that is a potent and efficient competitive inhibitor of vesicular glutamate uptake.
包装
25 g in glass bottle