| Size | Price | Stock | Qty |
|---|---|---|---|
| 25g |
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| 50g |
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| 100g |
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| Other Sizes |
| Targets |
Not applicable; this is a dye intermediate, not a drug with a defined molecular target.
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|---|---|
| ln Vitro |
1,8-Dinitroanthraquinone has no known in vitro pharmacological activity as a drug. It is a dye intermediate and may be used as a stain for non-biological materials. In research, it might be used as a standard in analytical chemistry or as a starting material for the synthesis of other anthraquinone derivatives. It does not inhibit specific enzymes or bind to receptors in a selective manner. No cell-based assays for drug efficacy are performed with this compound. It is a chemical intermediate, not a bioactive molecule.
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| ln Vivo |
No in vivo biological activity is reported for therapeutic purposes. 1,8-Dinitroanthraquinone is not administered to animals as a drug. It may be used in toxicology studies as a model compound for nitroaromatic pollutants. For example, it can be administered to rats or mice by oral gavage to study its metabolism and excretion. It may also be used in ecotoxicology studies with aquatic organisms. However, such studies are for safety assessment, not for drug efficacy. The compound has no pharmacodynamic properties.
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| Enzyme Assay |
No receptor or enzyme binding assays are applicable. The compound is a yellow crystalline solid; its purity can be analyzed by HPLC or by melting point determination (311-312degC). Its UV-Vis absorption spectrum can be measured in organic solvents (e.g., DMSO). The compound does not bind to any known biological target. No radioligand binding or enzyme inhibition assays are performed because it is not a pharmaceutical. It may be used as a standard in analytical chemistry for quality control of dye intermediates.
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| Cell Assay |
No cell-based assays are performed for therapeutic purposes. In research, the compound may be used in bacterial decolorization or biodegradation studies. Bacteria capable of reducing nitro groups (e.g., some Pseudomonas or Bacillus species) are cultured in minimal media containing 1,8-Dinitroanthraquinone (0.1-1 mM) as a sole nitrogen source. The reduction of nitro groups to amino groups can be monitored by HPLC or UV-Vis spectroscopy. These are environmental microbiology assays, not drug discovery. The compound is not used for staining live cells.
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| Animal Protocol |
No in vivo experiments are performed for therapeutic purposes. In toxicology studies, the compound might be administered to rats by oral gavage at doses of 100-1000 mg/kg to determine acute toxicity (LD50). Animals are observed for 14 days. For subchronic studies, rats may be fed diets containing 0, 100, 500, or 2000 ppm of the compound for 90 days. Endpoints include body weight, organ weights, hematology, clinical chemistry, and histopathology. Such studies are for chemical safety assessment, not drug development. All procedures require IACUC approval.
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| ADME/Pharmacokinetics |
No PK data exists for this compound as a drug. It is not a pharmaceutical. Physicochemically, it is a yellow crystalline solid, insoluble in water, slightly soluble in organic solvents (acetone, DMF, DMSO). It has a melting point of 311-312degC. For research use, it can be dissolved in DMSO (10-20 mg/mL). Store powder at room temperature in a dry, dark place. The compound is stable under normal conditions. Not formulated for injection.
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| Toxicity/Toxicokinetics |
Limited toxicology data is available. 1,8-Dinitroanthraquinone may be an irritant. As a nitroaromatic compound, it may have the potential to cause methemoglobinemia if absorbed in large quantities. It is also a potential mutagen. Standard laboratory safety precautions: use in a fume hood, wear gloves, lab coat, and safety goggles. Avoid dust inhalation and direct skin contact. The compound is not approved for human consumption. Dispose of according to local regulations.
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| References | |
| Additional Infomation |
1,8-Dinitroanthraquinone is a chemical intermediate used primarily in the synthesis of anthraquinone-based dyes and pigments. It is a dinitro derivative with the nitro groups at the 1 and 8 positions. In biological research, it is classified as a multifunctional dye, potentially used for observing cell structures, tracking biomolecules, and studying tissue pathology. However, it is not a drug, has no therapeutic applications, and is not approved for human or veterinary use. It is strictly a research and industrial chemical.
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| Molecular Formula |
C14H6N2O6
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|---|---|
| Molecular Weight |
298.21
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| Exact Mass |
298.023
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| CAS # |
129-39-5
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| PubChem CID |
67210
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.631 g/cm3
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| Boiling Point |
563.4ºC at 760 mmHg
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| Melting Point |
318-322ºC(lit.)
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| Flash Point |
294ºC
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| Vapour Pressure |
1.02E-12mmHg at 25°C
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| Index of Refraction |
1.714
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| LogP |
3.324
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
22
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| Complexity |
492
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)C3=C(C2=O)C=CC=C3[N+](=O)[O-]
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| InChi Key |
MBIJFIUDKPXMAV-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C14H6N2O6/c17-13-7-3-1-5-9(15(19)20)11(7)14(18)12-8(13)4-2-6-10(12)16(21)22/h1-6H
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| Chemical Name |
1,8-dinitroanthracene-9,10-dione
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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 |
| 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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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|---|---|
| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.3533 mL | 16.7667 mL | 33.5334 mL | |
| 5 mM | 0.6707 mL | 3.3533 mL | 6.7067 mL | |
| 10 mM | 0.3353 mL | 1.6767 mL | 3.3533 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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