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| Other Sizes |
| Targets |
Eriochrome Black T does not have a pharmacological target in the traditional sense, as it is an analytical reagent rather than a drug. Its "target" is metal ions such as calcium (Ca²⁺) and magnesium (Mg²⁺), with which it forms complexes. The compound acts as a tridentate ligand, binding to metal ions through its azo, nitro, and hydroxyl groups. This chelation results in a color change from blue to wine-red, which is the basis for its use as an indicator in complexometric titrations.
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| ln Vitro |
In vitro, Eriochrome Black T is used to detect the presence of metal ions in solution. It forms a wine-red complex with Ca²⁺, Mg²⁺, and other divalent cations at a pH of approximately 10. When EDTA is added, it preferentially binds to the metal ions, displacing the dye and causing the solution to turn blue at the endpoint. This activity is purely analytical and does not involve any biological or pharmacological effects. Its performance is evaluated based on the sharpness of the color change.
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| ln Vivo |
Eriochrome Black T is not used in vivo as it is not a pharmacological agent. Its applications are strictly limited to in vitro analytical chemistry. There are no in vivo pharmacological or therapeutic studies for this compound, as it is not intended for biological use. Its utility is confined to the laboratory setting for determining metal ion concentrations in various samples, such as water and other solutions.
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| Enzyme Assay |
The "binding" assay for Eriochrome Black T is the complexometric titration itself. In this cell-free system, a buffered solution (pH ~10) containing the dye and metal ions (Ca²⁺ and Mg²⁺) is titrated with a standard EDTA solution. The formation of the metal-dye complex is observed visually by the color change from blue to wine-red. The endpoint is reached when all metal ions are complexed by EDTA, and the solution turns back to blue.
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| Cell Assay |
Eriochrome Black T is used in cellular assays only as a reagent for detecting metal ions in cell culture media or buffers. It is not used as a treatment or a probe for cellular functions. Its interaction with cells is not a subject of study, as it is not biologically active. The compound is purely an analytical tool and does not elicit any pharmacological responses in cells.
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| Animal Protocol |
Eriochrome Black T is not used in animal studies, as it is not a pharmacological or therapeutic agent. Its applications are strictly limited to in vitro analytical chemistry. There are no in vivo animal studies conducted for this compound, as it serves no biological or medical purpose. Any use in animals would be restricted to analytical chemistry experiments, not pharmacological efficacy or toxicity studies.
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| ADME/Pharmacokinetics |
Eriochrome Black T is not administered systemically as it is not a drug. Therefore, pharmacokinetic properties such as absorption, distribution, metabolism, and excretion are not applicable. The compound is used in vitro as a reagent and is not intended for biological use. Its stability in solution and its spectral properties are the primary physicochemical characteristics of interest for its application.
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| Toxicity/Toxicokinetics |
Toxicity Data
LC50 (Rat) > 2,000 mg/m³/4 hours Eriochrome Black T is considered to have low toxicity as it is used as an indicator in analytical chemistry. However, as an azo dye, it may be a skin and eye irritant. It should be handled with appropriate laboratory safety precautions. It is not intended for human or animal consumption. Its toxicity profile is not extensively studied as it is not a pharmaceutical agent. Standard safety data sheets recommend avoiding contact with skin and eyes. |
| References | |
| Additional Infomation |
Eriochrome Black T is a synthetic azo dye and a complexometric indicator used for the determination of water hardness via EDTA titration. It is not a pharmaceutical agent and has no therapeutic applications. It is a standard laboratory reagent available from various chemical suppliers for research and analytical purposes. Its primary use is in analytical chemistry for the detection and quantification of calcium and magnesium ions.
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| Molecular Formula |
C20H12N3NAO7S
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|---|---|
| Molecular Weight |
461.3798
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| Exact Mass |
461.029
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| CAS # |
1787-61-7
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| PubChem CID |
135465089
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| Appearance |
Brown to black solid powder
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| Density |
1.109 g/mL at 25 °C
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| Flash Point |
185 °C
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| LogP |
6.235
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
9
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
32
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| Complexity |
782
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| Defined Atom Stereocenter Count |
0
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| SMILES |
S(C1C([H])=C(C(=C2C([H])=C([H])C(=C([H])C2=1)[N+](=O)[O-])/N=N/C1C([H])=C([H])C2=C([H])C([H])=C([H])C([H])=C2C=1O[H])O[H])(=O)(=O)[O-].[Na+]
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| InChi Key |
AMMWFYKTZVIRFN-UHFFFAOYSA-M
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| InChi Code |
InChI=1S/C20H13N3O7S.Na/c24-17-10-18(31(28,29)30)15-9-12(23(26)27)6-7-14(15)19(17)22-21-16-8-5-11-3-1-2-4-13(11)20(16)25;/h1-10,24-25H,(H,28,29,30);/q;+1/p-1
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| Chemical Name |
sodium;3-hydroxy-4-[(1-hydroxynaphthalen-2-yl)diazenyl]-7-nitronaphthalene-1-sulfonate
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO : ~50 mg/mL (~108.37 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2 mg/mL (4.33 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 + to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.1674 mL | 10.8371 mL | 21.6741 mL | |
| 5 mM | 0.4335 mL | 2.1674 mL | 4.3348 mL | |
| 10 mM | 0.2167 mL | 1.0837 mL | 2.1674 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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