| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
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| Other Sizes |
| Targets |
NF-kappaB transcriptional activity (TNF-alpha/NF-kappaB signaling axis)
|
|---|---|
| ln Vitro |
The compound shows significant inhibitory effects on TNF-alpha-induced NF-kappaB transcriptional activity, with an IC50 value of 29.07 microM. By inhibiting this master inflammatory transcription factor, it reduces the expression of downstream pro-inflammatory genes involved in immune responses and inflammation.
|
| ln Vivo |
No standardized in vivo data is available. As an NF-kappaB inhibitor, this compound could potentially be used to study inflammatory diseases, autoimmune disorders, and certain cancers where NF-kappaB is constitutively active. Its natural product origin suggests potential value as a lead compound.
|
| Enzyme Assay |
NF-kappaB inhibition is quantified using a luciferase reporter gene assay. HEK293 cells stably transfected with an NF-kappaB-dependent luciferase construct are stimulated with TNF-alpha. Compound is added at varying concentrations. After 6-8 hours, cells are lysed and luciferase activity is measured.
|
| Cell Assay |
HEK293 or macrophage cells are pre-incubated with varying concentrations of the compound for 1 hour, then stimulated with TNF-alpha (10 ng/mL) for 6-8 hours. Cells are lysed, and a luciferase substrate is added to quantify NF-kappaB-driven luciferase activity as a measure of transcriptional inhibition.
|
| Animal Protocol |
No specific animal protocol is documented. Standard models could include LPS-induced sepsis, carrageenan-induced paw edema, or DSS-induced colitis in mice. The compound would be administered orally or intraperitoneally. NF-kappaB activation would be assessed in tissue lysates by EMSA or Western blotting.
|
| ADME/Pharmacokinetics |
Comprehensive PK data is not publicly available. As a chromone glycoside (C-glycosyl chromone derivative), its PK would be influenced by the sugar moiety, potentially affecting oral absorption, metabolism, and clearance.
|
| Toxicity/Toxicokinetics |
No specialized toxicity data is available. Chromone derivatives are generally considered to have moderate safety profiles. Detailed toxicology would be required for any potential therapeutic development.
|
| References | |
| Additional Infomation |
It has been reported that aloe vera contains 7-methoxy-8-(β-D-glucopyranosyl)-5-methyl-2-[(R)-2-hydroxypropyl]-4H-1-benzopyran-4-one, and there is relevant data.
7-O-Methylaloesinol is a natural product research chemical isolated from Aloe capensis leaf exudate. It has not been approved for human use and is strictly an investigational tool for studying NF-kappaB signaling pathways in inflammation. |
| Molecular Formula |
C20H26O9
|
|---|---|
| Molecular Weight |
410.415047168732
|
| Exact Mass |
410.157
|
| CAS # |
105317-69-9
|
| PubChem CID |
101602077
|
| Appearance |
Typically exists as solid at room temperature
|
| LogP |
-0.6
|
| Hydrogen Bond Donor Count |
5
|
| Hydrogen Bond Acceptor Count |
9
|
| Rotatable Bond Count |
5
|
| Heavy Atom Count |
29
|
| Complexity |
623
|
| Defined Atom Stereocenter Count |
6
|
| SMILES |
O1[C@H](CO)[C@H]([C@@H]([C@H]([C@@H]1C1C(=CC(C)=C2C(C=C(C[C@@H](C)O)OC=12)=O)OC)O)O)O
|
| InChi Key |
RNWHJIWNYIOZFG-BEDFBCNSSA-N
|
| InChi Code |
InChI=1S/C20H26O9/c1-8-4-12(27-3)15(20-18(26)17(25)16(24)13(7-21)29-20)19-14(8)11(23)6-10(28-19)5-9(2)22/h4,6,9,13,16-18,20-22,24-26H,5,7H2,1-3H3/t9-,13-,16-,17+,18-,20+/m1/s1
|
| Chemical Name |
2-[(2R)-2-hydroxypropyl]-7-methoxy-5-methyl-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-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 |
| 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 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 | 2.4365 mL | 12.1826 mL | 24.3653 mL | |
| 5 mM | 0.4873 mL | 2.4365 mL | 4.8731 mL | |
| 10 mM | 0.2437 mL | 1.2183 mL | 2.4365 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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