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

• ChemBase ID: 104767
• 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(cc2cc(cc(N)c2c1O)S(=O)(=O)[O-])S(=O)(=O)[O-])/N=N/c1c(cc2cc(cc(N)c2c1O)S(=O)(=O)[O-])S(=O)(=O)[O-]
• Canonical SMILES: Cc1cc(ccc1/N=N/c1c(O)c2c(N)cc(cc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-])c1ccc(c(c1)C)/N=N/c1c(O)c2c(N)cc(cc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
• InChI: InChI=1S/C34H28N6O14S4.4Na/c1-15-7-17(3-5-25(15)37-39-31-27(57(49,50)51)11-19-9-21(55(43,44)45)13-23(35)29(19)33(31)41)18-4-6-26(16(2)8-18)38-40-32-28(58(52,53)54)12-20-10-22(56(46,47)48)14-24(36)30(20)34(32)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: GLNADSQYFUSGOU-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrasodium 5-amino-3-[(E)-2-(4-{4-[(E)-2-(8-amino-1-hydroxy-3,6-disulfonatonaphthalen-2-yl)diazen-1-yl]-3-methylphenyl}-2-methylphenyl)diazen-1-yl]-4-hydroxynaphthalene-2,7-disulfonate; tetrasodium 5-amino-3-[2-(4-{4-[2-(8-amino-1-hydroxy-3,6-disulfonatonaphthalen-2-yl)diazen-1-yl]-3-methylphenyl}-2-methylphenyl)diazen-1-yl]-4-hydroxynaphthalene-2,7-disulfonate
• IUPAC Traditional name: tetrasodium 5-amino-3-[(E)-2-(4-{4-[(E)-2-(8-amino-1-hydroxy-3,6-disulfonatonaphthalen-2-yl)diazen-1-yl]-3-methylphenyl}-2-methylphenyl)diazen-1-yl]-4-hydroxynaphthalene-2,7-disulfonate; tetrapotassium 5-amino-3-[2-(4-{4-[2-(8-amino-1-hydroxy-3,6-disulfonatonaphthalen-2-yl)diazen-1-yl]-3-methylphenyl}-2-methylphenyl)diazen-1-yl]-4-hydroxynaphthalene-2,7-disulfonate; tetrasodium 5-amino-3-[2-(4-{4-[2-(8-amino-1-hydroxy-3,6-disulfonatonaphthalen-2-yl)diazen-1-yl]-3-methylphenyl}-2-methylphenyl)diazen-1-yl]-4-hydroxynaphthalene-2,7-disulfonate
• Synonyms: C.I. 23850; Trypan Blue solution; Trypan Blue; DIANIL BLUE 4B; Direct blue 14; 1,2-bis[5-Amidino-2-ben-zofuranyl]ethylene; TRUE BLUE DIACETURATE SALT; Trypan blue; 台盼蓝 溶液; 直接蓝 14; 台盼蓝

Database IDs

• CAS Number: 72-57-1; 108321-12-6
• EC Number: 200-786-7
• MDL Number: MFCD00003969
• Beilstein Number: 4360496
• Merck Index: 149792
• PubChem SID: 162091804; 24900354; 24858268
• PubChem CID: 5904246; 5359264
• CHEMBL: 1640
• Chemspider ID: 10482308
• KEGG ID: C19307
• Unique Ingredient Identifier: I2ZWO3LS3M
• Wikipedia Title: Trypan_blue
• Color Index Number: 23850

CALCULATED PROPERTIES

• Acid pKa: -4.154585
• H Acceptors: 20
• H Donor: 4
• LogD (pH = 5.5): -3.5636518
• LogD (pH = 7.4): -3.6084332
• Log P: 1.1347388
• Molar Refractivity: 214.1808 cm^3
• Polarizability: 83.89891 Å^3
• Polar Surface Area: 370.74 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: H2O: soluble10 mg/mL
• Apperance: powder
• Melting Point: >300 °C(lit.); >300°C
• Density: 1.007 g/mL at 20 °C
• Absorption Wavelength: λmax 607 nm

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: QJ6475000
• European Hazard Symbols: Toxic (T)
• German water hazard class: 3
• Risk Statements: 45
• Safety Statements: 53-20-36-45-60; 53-45; R
• TSCA Listed: 是
• GHS Pictograms: GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H350
• GHS Precautionary statements: P201-P308 + P313; P281-P201-P202-P308+P313-P405-P501A
• Personal Protective Equipment: Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges; Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Pharmacology Properties

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

Product Information

• Purity: Dye Content ~45%; dye content >60%
• Concentration: 0.4%
• Grade: for microscopy; for microscopy (Hist., Vit.)
• Compostion: Dye content, ~40%; Dye content, 60%
• Suitability: suitable for cell culture
• Shelf Life: (limited shelf life, expiry date on the label)
• Linear Formula: C34H24N6O14S4Na4
• Empirical Formula (Hill Notation): C34H24N6Na4O14S4

DETAILS

MP Biomedicals - 05208958

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02157150

Diaceturate Salt
Dye content: ~ 45%
A fluorescent neuronal tracer.

Sigma Aldrich - T6146

Application
在细胞毒性试验中用于检测死亡细胞和垂死细胞，也可用于细胞活性的常规评估。
包装
5, 25, 100 g in glass bottle

Sigma Aldrich - 302643

Application
Trypan blue is a blue acid dye that contains two azo chromophores. It is a large, hydrophilic, tetrasulfonated dye. Trypan blue has been used as a vital stain as it is excluded by most living cells. It has been used to stain collagen and amyloid. It is also used in chlamydospore agar for fungi. When Trypan blue binds to proteins the resulting complex emits red fluorescence.
Packaging
25, 100 g in glass bottle

Sigma Aldrich - 93595

Physical form
0.4% in 0.81% sodium chloride; 0.06% potassium phosphate, dibasic

REFERENCES

• Kuypers, H.G.J.M. and Huisman, A.M., Adv. Cellular Neurobiol. , 5 : 307, (1984).