| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 5mg |
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| 10mg | |||
| 100mg | |||
| Other Sizes |
| Targets |
- Quinone Reductase 2 (QR2) (IC50 = 5.2 ± 0.3 μM) [1]
- Human cancer cell lines (A549: IC50 = 6.8 ± 0.5 μM; MCF-7: IC50 = 4.3 ± 0.4 μM; HepG2: IC50 = 7.1 ± 0.6 μM) [2] |
|---|---|
| ln Vitro |
- Xanthohumol D exhibited potent inhibitory activity against QR2. At concentrations of 2.5, 5, 10 μM, it inhibited QR2 enzyme activity by 32±3%, 58±4%, and 82±5%, respectively, with an IC50 of 5.2 ± 0.3 μM [1]
- It showed dose-dependent antiproliferative activity against human cancer cells. For A549 (lung cancer), MCF-7 (breast cancer), and HepG2 (hepatocellular carcinoma) cells, the IC50 values were 6.8 ± 0.5 μM, 4.3 ± 0.4 μM, and 7.1 ± 0.6 μM, respectively (72-hour incubation) [2] - It induced early apoptosis in MCF-7 cells: 10 μM Xanthohumol D increased the apoptotic rate by 35±3% compared to the control group [2] |
| Enzyme Assay |
- QR2 inhibition assay by ultrafiltration LC-MS: Recombinant QR2 was dissolved in buffer and incubated with Xanthohumol D (0.1–20 μM) at 37°C for 1 hour. The mixture was ultrafiltered to remove unbound compounds, and the enzyme-bound fraction was analyzed by LC-MS to confirm binding. QR2 activity was measured using menadione as substrate, detecting the absorbance of reduced menadione at 340 nm to calculate inhibition efficiency and IC50 [1]
|
| Cell Assay |
- Antiproliferation assay: Human cancer cells (A549, MCF-7, HepG2) were seeded in 96-well plates (5×10³ cells/well) and incubated overnight. Xanthohumol D (0.5–20 μM) was added, and cells were cultured for 72 hours. MTT reagent was added, and after 4 hours of incubation, the formazan crystals were dissolved. Absorbance was measured at 570 nm to calculate cell viability and IC50 values [2]
- Apoptosis assay: MCF-7 cells were treated with Xanthohumol D (5, 10 μM) for 48 hours, stained with Annexin V-FITC and PI, and analyzed by flow cytometry to determine the early apoptotic rate [2] |
| References | |
| Additional Infomation |
Xanthumol D is a chalcone compound with the structure trans-chalcone, substituted with hydroxyl groups at positions 4, 2', and 4', a methoxy group at position 6', and a 2-hydroxy-3-methylbut-3-en-1-yl group at position 3'. It has been isolated from hops (Humulus lupulus) and has been shown to inhibit nitric oxide (NO) production. It is both a metabolite and an inhibitor of nitric oxide synthase (EC 1.14.13.39). It belongs to the chalcone class of compounds and is a polyphenol, aromatic ether, and secondary alcohol.
- Flavorol D is a fungal metabolite of flavonoids, a natural flavonoid derived from hops (Humulus lupulus)[2] - Its biological activities include inhibiting QR2 (which may play a role in regulating oxidative stress) and inhibiting cancer cell proliferation by inducing apoptosis[1][2] - It was identified as a QR2 inhibitor by high-throughput screening based on ultrafiltration liquid chromatography-mass spectrometry (LC-MS), and its selectivity for QR2 is higher than that for other reductases[1] |
| Molecular Formula |
C21H22O6
|
|---|---|
| Molecular Weight |
370.3958
|
| Exact Mass |
370.141
|
| CAS # |
274675-25-1
|
| PubChem CID |
10317069
|
| Appearance |
Light yellow to green yellow solid powder
|
| Density |
1.3±0.1 g/cm3
|
| Boiling Point |
624.2±55.0 °C at 760 mmHg
|
| Flash Point |
220.9±25.0 °C
|
| Vapour Pressure |
0.0±1.9 mmHg at 25°C
|
| Index of Refraction |
1.652
|
| LogP |
3.54
|
| Hydrogen Bond Donor Count |
4
|
| Hydrogen Bond Acceptor Count |
6
|
| Rotatable Bond Count |
7
|
| Heavy Atom Count |
27
|
| Complexity |
537
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CC(=C)C(CC1=C(C(=C(C=C1O)OC)C(=O)/C=C/C2=CC=C(C=C2)O)O)O
|
| InChi Key |
IIWLGOCXDBSFCM-RMKNXTFCSA-N
|
| InChi Code |
InChI=1S/C21H22O6/c1-12(2)17(24)10-15-18(25)11-19(27-3)20(21(15)26)16(23)9-6-13-4-7-14(22)8-5-13/h4-9,11,17,22,24-26H,1,10H2,2-3H3/b9-6+
|
| Chemical Name |
(E)-1-[2,4-dihydroxy-3-(2-hydroxy-3-methylbut-3-enyl)-6-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
|
| HS Tariff Code |
2934.99.9001
|
| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
|
| Solubility (In Vitro) |
DMSO : ~50 mg/mL (~134.99 mM)
|
|---|---|
| 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 | 2.6998 mL | 13.4989 mL | 26.9978 mL | |
| 5 mM | 0.5400 mL | 2.6998 mL | 5.3996 mL | |
| 10 mM | 0.2700 mL | 1.3499 mL | 2.6998 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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