| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| 100mg | |||
| 250mg | |||
| Other Sizes |
| Targets |
- 4'-Methylchrysoeriol targets human cytochrome P450 1B1 (CYP1B1) (Ki value: 0.05 μM; inhibits CYP1B1 catalytic activity by binding to the enzyme's active site) [1]
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|---|---|
| ln Vitro |
4'-Mmethylchrysoeriol (34DM57DHF) has an IC50 of 19 nM for human P450 1B1-dependent EROD, making it a strong inhibitor of P450 enzymes, specifically P450 1B1.
- For human CYP1B1 catalytic activity: 4'-Methylchrysoeriol dose-dependently inhibited CYP1B1-mediated metabolism of the fluorescent substrate 7-ethoxyresorufin (EROD). At concentrations ranging from 0.01 to 1 μM, it showed potent inhibitory effects, with a Ki value of 0.05 μM. Additionally, it induced reverse type I binding spectra when incubated with CYP1B1, characterized by a decrease in absorbance at ~420 nm and an increase at ~390 nm, indicating direct binding to the heme iron center of CYP1B1 [1] |
| Enzyme Assay |
- Human CYP1B1 binding spectrum assay: Recombinant human CYP1B1 was reconstituted with NADPH-cytochrome P450 reductase and phosphatidylcholine in a buffer system. 4'-Methylchrysoeriol was dissolved in a suitable organic solvent (final organic solvent concentration <1% to avoid enzyme denaturation) and added to the reconstituted CYP1B1 solution to achieve final concentrations of 0.01, 0.05, 0.1, 0.5, and 1 μM. The mixture was incubated at 37°C for 5 minutes, and absorption spectra were recorded over the wavelength range of 250–500 nm using a spectrophotometer. The difference in absorbance (ΔA) between 390 nm and 420 nm was calculated to assess the strength of binding [1]
- Human CYP1B1 catalytic activity inhibition assay: The reaction system contained reconstituted CYP1B1, NADPH regeneration system (glucose-6-phosphate, glucose-6-phosphate dehydrogenase, NADP+), and the substrate 7-ethoxyresorufin (final concentration 1 μM) in buffer. 4'-Methylchrysoeriol was added to the system at concentrations of 0.01, 0.02, 0.05, 0.1, 0.2, and 1 μM, followed by incubation at 37°C for 20 minutes. The reaction was terminated by adding ice-cold methanol, and the amount of the metabolite resorufin was detected using a fluorescence spectrophotometer (excitation wavelength: 530 nm; emission wavelength: 585 nm). Inhibition rates were calculated by comparing with the vehicle control group, and the Ki value was determined via nonlinear regression analysis of the concentration-inhibition curve [1] |
| References | |
| Additional Infomation |
It has been reported that 5,7-dihydroxy-3',4'-dimethoxyflavonoids exist in Rhynchosia beddomei, Eremanthus arboreus, and other organisms with relevant data.
-4'-methylhypericin belongs to the flavonoid derivatives. Its potent inhibitory effect on CYP1B1 is attributed to its structural features: the 4'-methyl group enhances the hydrophobic interaction with the active site of CYP1B1, while the hydroxyl groups on the A and B rings help to form hydrogen bonds with amino acid residues in the enzyme, thereby increasing binding affinity and inhibitory activity [1] |
| Molecular Formula |
C17H14O6
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|---|---|
| Molecular Weight |
314.28900
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| Exact Mass |
314.079
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| CAS # |
4712-12-3
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| PubChem CID |
5351234
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| Appearance |
Light yellow to yellow solid powder
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| Density |
1.402g/cm3
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| Boiling Point |
538.3ºC at 760 mmHg
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| Flash Point |
201.3ºC
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| Index of Refraction |
1.645
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| LogP |
2.888
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
23
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| Complexity |
476
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
AOLOMULCAJQEIG-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C17H14O6/c1-21-13-4-3-9(5-15(13)22-2)14-8-12(20)17-11(19)6-10(18)7-16(17)23-14/h3-8,18-19H,1-2H3
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| Chemical Name |
2-(3,4-dimethoxyphenyl)-5,7-dihydroxychromen-4-one
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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 : ~20.83 mg/mL (~66.28 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: 2.08 mg/mL (6.62 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 20.8 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 | 3.1818 mL | 15.9089 mL | 31.8177 mL | |
| 5 mM | 0.6364 mL | 3.1818 mL | 6.3635 mL | |
| 10 mM | 0.3182 mL | 1.5909 mL | 3.1818 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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