| Size | Price | Stock | Qty |
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| 10mg |
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| 50mg |
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| 100mg |
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| 500mg | |||
| Other Sizes |
| Targets |
Aryl hydrocarbon receptor (AhR). In the CALUX assay using mouse hepatoma H1L1 cells, 1,4-Chrysenequinone exhibited significant AhR agonist activity with an ECTCDD25 (concentration producing 25% of the maximal response to TCDD) of 1.9 μM. [1]
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| ln Vitro |
In yeast and mouse liver cancer cell cultures, 1,4-chrysenequinone exhibits noteworthy AhR ligand activity, with ECCDD25s (concentration equal to 25% of TCDD max) of 9.7 nM and 1.9 μM, respectively [1].
In the CALUX assay (mouse hepatoma H1L1 cells), 1,4-Chrysenequinone showed significant AhR ligand activity, with an ECTCDD25 of 1.9 μM, which was approximately one order of magnitude lower than that of benzo[a]pyrene (B[a]P). [1] In the yeast reporter gene assay (Saccharomyces cerevisiae strain YCM3 expressing human AhR and ARNT), treatment with 10 μM 1,4-Chrysenequinone resulted in significant inhibition of yeast cell growth, with cell density reduced to 15-35% of the control. [1] |
| Cell Assay |
Yeast reporter gene assay: Saccharomyces cerevisiae strain YCM3 (engineered to express human AhR and AhR nuclear translocator) was grown overnight in synthetic glucose medium at 30°C. The next day, 10 μL of saturated culture was inoculated into glass tubes containing 400 μL of synthetic 2% galactose medium. Test compound (1,4-Chrysenequinone) dissolved in dimethyl sulfoxide was added to achieve a final solvent concentration of 0.5%, followed by 18 h incubation at 30°C. Cell density was measured at 595 nm. β-Galactosidase activity was measured using α-nitrophenyl-β-D-galactopyranoside as substrate; absorbance was read at 405 nm. Activity (lacZ units) was calculated. Growth inhibition (15-35% of control) was observed at 10 μM 1,4-Chrysenequinone. [1]
CALUX assay: Mouse hepatoma H1L1.1c2 cells (~1.5×105 cells/well) were cultured in 96-well plates. 1,4-Chrysenequinone dissolved in dimethyl sulfoxide was added to the medium (final solvent concentration 1%). Plates were incubated at 37°C in 5% CO2 for 24 h. Cell viability was confirmed microscopically, then medium removed and cells lysed. Luciferase activity was measured after adding luciferin substrate, reported as relative light units. The concentration producing 25% of the maximal TCDD response (ECTCDD25) for 1,4-Chrysenequinone was 1.9 μM. [1] |
| ADME/Pharmacokinetics |
The hydrophobicity (log Kow) of 1,4-Chrysenequinone was determined by reversed-phase HPLC using a methanol-water (90:10) mobile phase at 1.0 mL/min on an ODS column, with detection at 254 nm. The log Kow value was calculated from a standard curve constructed using reference compounds (phenol, toluene, bromobenzene, and several PAHs). The measured log Kow for 1,4-Chrysenequinone was 4.89. [1]
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| Toxicity/Toxicokinetics |
In the yeast cell assay, treatment with 10 μM 1,4-Chrysenequinone caused significant growth inhibition, reducing cell density to 15-35% of the control. No other toxicity data (e.g., half-lethal dose, hepatotoxicity, protein binding) were reported. [1]
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| References | |
| Additional Infomation |
Tröl-1,4-dione is a member of the phenanthrene class of compounds.
See also: 1,2-Tröl-dione (note moved to). 1,4-Chrysenequinone is a four-ring polycyclic aromatic quinone. Its chemical structure is shown in Figure 1 of the original paper. The compound was one of the oxygenated PAHs that showed significant AhR activity in the CALUX assay, with potency about one order of magnitude lower than benzo[a]pyrene. No environmental contribution estimates (e.g., in gasoline exhaust or airborne particulates) were provided for this specific compound in the study. [1] |
| Molecular Formula |
C18H10O2
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|---|---|
| Molecular Weight |
258.2708
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| Exact Mass |
258.068
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| CAS # |
100900-16-1
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| PubChem CID |
180933
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| Appearance |
Yellow to orange solid powder
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| Density |
1.4±0.1 g/cm3
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| Boiling Point |
499.5±45.0 °C at 760 mmHg
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| Melting Point |
210-212ºC(lit.)
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| Flash Point |
184.7±25.7 °C
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| Vapour Pressure |
0.0±1.3 mmHg at 25°C
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| Index of Refraction |
1.761
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| LogP |
4.25
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
20
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| Complexity |
464
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
UORKIKBNUWJNJF-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C18H10O2/c19-16-9-10-17(20)18-14-6-5-11-3-1-2-4-12(11)13(14)7-8-15(16)18/h1-10H
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| Chemical Name |
chrysene-1,4-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) |
DMSO : ~3.33 mg/mL (~12.89 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: 0.5 mg/mL (1.94 mM) in 10% DMSO + 40% PEG300 +5% Tween-80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 5.0 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 | 3.8719 mL | 19.3596 mL | 38.7192 mL | |
| 5 mM | 0.7744 mL | 3.8719 mL | 7.7438 mL | |
| 10 mM | 0.3872 mL | 1.9360 mL | 3.8719 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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