| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 100mg | |||
| Other Sizes |
| Targets |
Demethylsuberosin targets multiple pathways. It suppresses LPS-induced NO and PGE2 production, suggesting it modulates inflammatory signaling. It also inhibits the L-type CavL channel, contributing to its antihypertensive effects. Its anti-inflammatory and antihypertensive activities make it a compound of interest for studying cardiovascular and inflammatory diseases.
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| ln Vitro |
In vitro, Demethylsuberosin displays suppressive effects on LPS-induced NO and PGE2 production with an IC50 of 9.42 μM. This indicates its potential as an anti-inflammatory agent. It also inhibits the L-type CavL channel. Its activity is assessed by measuring NO and PGE2 levels in cell culture supernatants and by electrophysiology for ion channel studies.
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| ln Vivo |
In vivo efficacy data for Demethylsuberosin are not extensively detailed. Its anti-inflammatory and antihypertensive effects suggest potential in animal models of these diseases. However, specific in vivo studies with this compound have not been widely reported. It is intended for research use only.
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| Enzyme Assay |
For anti-inflammatory assays, immune cells (e.g., macrophages) are stimulated with LPS in the presence or absence of Demethylsuberosin. NO production is measured by Griess assay, and PGE2 levels are measured by ELISA. For ion channel assays, patch-clamp electrophysiology is used to measure the effect of the compound on CavL channel currents.
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| Cell Assay |
For cellular studies, macrophages or other cells are cultured in appropriate medium. Demethylsuberosin is dissolved in DMSO and diluted in culture medium. Cells are treated with the compound and then stimulated with LPS. NO and PGE2 levels are measured in the supernatant. Cell viability is assessed by MTT assay.
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| Animal Protocol |
For in vivo efficacy studies, animal models of inflammation or hypertension could be used. Demethylsuberosin would be formulated in vehicle and administered orally or intraperitoneally. Inflammatory markers or blood pressure would be measured. Tissues would be collected for histopathological examination.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for Demethylsuberosin are not extensively reported. As a small molecule, it is expected to have moderate oral bioavailability. Its metabolism likely involves hepatic CYP450 enzymes. A comprehensive PK study would be needed for any potential therapeutic development.
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| Toxicity/Toxicokinetics |
Toxicological data for Demethylsuberosin are limited. No acute toxicity, organ-specific toxicity, or mutagenicity data have been reported. As with all research compounds, appropriate safety precautions should be taken during handling.
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| References | |
| Additional Infomation |
7-Desmethylsubeblocine is a hydroxycoumarin, a product of 7-hydroxycoumarin with a 3-methylbut-2-en-1-yl substitution at the 6-position. It is a natural product found in citrus (Citropsis articulata) and plays a role in plant metabolism. Desmethylsubeblocine has also been reported in Angelica gigas, Citrus sulcata, and several other organisms with relevant data.
Demethylsuberosin (CAS 21422-04-8) is a naturally occurring coumarin with anti-inflammatory activity (IC50=9.42 μM for NO and PGE2 suppression). It also inhibits L-type CavL channels. It has the molecular formula C₁₄H₁₄O₃ and a molecular weight of 230.26. It is strictly for research use. |
| Molecular Formula |
C14H14O3
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|---|---|
| Molecular Weight |
230.2592
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| Exact Mass |
230.094
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| CAS # |
21422-04-8
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| PubChem CID |
5316525
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| Appearance |
White to off-white solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
418.8±45.0 °C at 760 mmHg
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| Melting Point |
134-136℃
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| Flash Point |
182.0±21.5 °C
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| Vapour Pressure |
0.0±1.0 mmHg at 25°C
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| Index of Refraction |
1.595
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| LogP |
3.67
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
17
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| Complexity |
353
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
FIDUIAPDSKSUGO-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C14H14O3/c1-9(2)3-4-10-7-11-5-6-14(16)17-13(11)8-12(10)15/h3,5-8,15H,4H2,1-2H3
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| Chemical Name |
7-hydroxy-6-(3-methylbut-2-enyl)chromen-2-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 : ~250 mg/mL (~1085.73 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (9.03 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 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 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. Solubility in Formulation 2: ≥ 2.08 mg/mL (9.03 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.08 mg/mL (9.03 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.3429 mL | 21.7146 mL | 43.4292 mL | |
| 5 mM | 0.8686 mL | 4.3429 mL | 8.6858 mL | |
| 10 mM | 0.4343 mL | 2.1715 mL | 4.3429 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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