| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 5mg |
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| Other Sizes |
| Targets |
IC50: 3.43 μM (MAO-B)[1]
MAO-B (monoamine oxidase B); also mildly inhibits DBH (dopamine β-hydroxylase). |
|---|---|
| ln Vitro |
4-Hydroxyderricin inhibits MAO-B with an IC50 of 3.43 μM. It exhibits approximately 12.8-fold selectivity for MAO-B over MAO-A, compared to its analog xanthoangelol, which inhibits both isoforms non-selectively. This selectivity makes it a useful tool for studying MAO-B-specific functions.
|
| ln Vivo |
The compound has demonstrated antidepressant activity in preclinical models. Its in vivo effects are attributed to its selective inhibition of MAO-B, which leads to increased levels of monoamine neurotransmitters such as dopamine and phenylethylamine in the brain. Its mild inhibition of DBH may also contribute to its overall pharmacological profile.
|
| Enzyme Assay |
In vitro enzyme assays are performed to evaluate the inhibitory activity of 4-Hydroxyderricin against MAO-B. The enzyme is incubated with a substrate (e.g., kynuramine) and varying concentrations of the compound. The inhibition of enzyme activity is measured by monitoring the production of the reaction product using fluorescence-based methods, and the IC50 is calculated.
|
| Cell Assay |
Cells expressing MAO-B (e.g., neuronal cell lines) are treated with 4-Hydroxyderricin to assess its cellular effects. The compound's ability to inhibit MAO-B activity in intact cells is measured by monitoring the metabolism of monoamine substrates. Its effects on cellular signaling and viability can also be evaluated.
|
| Animal Protocol |
In vivo studies are conducted in animal models of depression or other neurological disorders to evaluate the antidepressant and neuroprotective effects of 4-Hydroxyderricin. The compound is typically administered via oral or intraperitoneal routes. Behavioral tests, such as the forced swim test or tail suspension test, are used to assess its antidepressant-like activity.
|
| ADME/Pharmacokinetics |
No detailed pharmacokinetic data are publicly available for 4-Hydroxyderricin. As a natural product-derived compound, its absorption, distribution, metabolism, and excretion would be studied in preclinical models to understand its bioavailability and brain penetration, which are crucial for its CNS activity.
|
| Toxicity/Toxicokinetics |
No specific toxicity data are publicly available. However, its mechanism of action as an MAO-B inhibitor suggests that it could have side effects related to increased monoamine levels if used at high doses or in combination with other drugs. Standard safety assessments would be required for any therapeutic development.
|
| References | |
| Additional Infomation |
4-Hydroxydroxycin belongs to the chalcone class of compounds. It has been reported to exist in Millettia dura, Angelica keiskei, and Sophora prostrata, with relevant data available. See also: aerial parts of Angelica keiskei; root of Angelica keiskei.
4-Hydroxyderricin is a naturally occurring MAO-B inhibitor with potential therapeutic applications in depression and other CNS disorders. Its selectivity for MAO-B over MAO-A is a desirable feature for an antidepressant, as it may reduce the risk of the "cheese effect" (hypertensive crisis) associated with non-selective MAO inhibitors. It is not approved for clinical use and is primarily a research tool. |
| Molecular Formula |
C21H22O4
|
|---|---|
| Molecular Weight |
338.40
|
| Exact Mass |
338.152
|
| CAS # |
55912-03-3
|
| PubChem CID |
6438503
|
| Appearance |
Light yellow to yellow solid powder
|
| Density |
1.181g/cm3
|
| Boiling Point |
542ºC at 760mmHg
|
| Melting Point |
136-137℃
|
| Flash Point |
190.8ºC
|
| Index of Refraction |
1.622
|
| LogP |
4.511
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
6
|
| Heavy Atom Count |
25
|
| Complexity |
484
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CC(=CCC1=C(C=CC(=C1O)C(=O)/C=C/C2=CC=C(C=C2)O)OC)C
|
| InChi Key |
XDKYBPGIBVMHHB-KPKJPENVSA-N
|
| InChi Code |
InChI=1S/C21H22O4/c1-14(2)4-10-18-20(25-3)13-11-17(21(18)24)19(23)12-7-15-5-8-16(22)9-6-15/h4-9,11-13,22,24H,10H2,1-3H3/b12-7+
|
| Chemical Name |
(E)-1-[2-hydroxy-4-methoxy-3-(3-methylbut-2-enyl)phenyl]-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: 100 mg/mL (295.51 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.39 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 25.0 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 | 2.9551 mL | 14.7754 mL | 29.5508 mL | |
| 5 mM | 0.5910 mL | 2.9551 mL | 5.9102 mL | |
| 10 mM | 0.2955 mL | 1.4775 mL | 2.9551 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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