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编号: 104767
• 分子式: C34H24N6Na4O14S4
• 平均质量: 960.80524
• 单一同位素质量: 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

名称和登记号

名称

• IUPAC标准名: 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传统名: 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
• 别名: 台盼蓝 溶液; 直接蓝 14; 台盼蓝; 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

登记号

• CAS号: 108321-12-6; 72-57-1
• EC号: 200-786-7
• MDL号: MFCD00003969
• Beilstein号: 4360496
• 默克索引号: 149792
• PubChem SID: 24900354; 24858268; 162091804
• PubChem CID: 5904246; 5359264
• CHEMBL: 1640
• Chemspider ID: 10482308
• KEGG ID: C19307
• 美国药典/FDA物质标识码: I2ZWO3LS3M
• 维基百科标题: Trypan_blue
• Color Index Number: 23850

理论计算性质

• Acid pKa: -4.154585
• 质子受体: 20
• 质子供体: 4
• LogD (pH = 5.5): -3.5636518
• LogD (pH = 7.4): -3.6084332
• Log P: 1.1347388
• 摩尔折射率: 214.1808 cm^3
• 极化性: 83.89891 Å^3
• 极化表面积: 370.74 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: H2O: soluble10 mg/mL
• 外观: powder
• 熔点: >300 °C(lit.); >300°C
• 密度: 1.007 g/mL at 20 °C
• 紫外吸收波长: λmax 607 nm

安全信息

• 保存条件: Room Temperature (15-30°C)
• RTECS编号: QJ6475000
• 欧盟危险性物质标志: 有毒(Toxic) (T)
• 德国WGK号: 3
• 危险公开号: 45
• 安全公开号: 53-20-36-45-60; 53-45; R
• TSCA收录: 是
• GHS危险品标识: GHS08
• GHS警示词: Danger
• GHS危险声明: H350
• GHS警示性声明: P201-P308 + P313; P281-P201-P202-P308+P313-P405-P501A
• 个人保护装置: 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

药理学性质

• 相关基因信息: human ... PTPN1(5770), PTPRF(5792)

产品相关信息

• 纯度: Dye Content ~45%; dye content >60%
• 浓度: 0.4%
• 级别: for microscopy; for microscopy (Hist., Vit.)
• 主要成分: Dye content, ~40%; Dye content, 60%
• 适用性: suitable for cell culture
• 有效期: (limited shelf life, expiry date on the label)
• 线性分子式: C34H24N6O14S4Na4
• Empirical Formula (Hill Notation): C34H24N6Na4O14S4

详细说明

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.
包装
25, 100 g in glass bottle

Sigma Aldrich - 93595

Physical form
0.4% 溶于 0.81% 氯化钠，0.06% 磷酸氢二钾

参考文献

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