| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| 10mg |
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| 100mg | |||
| Other Sizes |
| Targets |
Acetylcholinesterase (AChE) (IC50 = 2.3 ± 0.2 μM) [1]
Butyrylcholinesterase (BChE) (IC50 = 3.7 ± 0.3 μM) [1] |
|---|---|
| ln Vitro |
- 8-Deoxygartanin is a potent cholinesterase inhibitor. It dose-dependently inhibited human recombinant AChE and equine serum BChE with IC50 values of 2.3 ± 0.2 μM and 3.7 ± 0.3 μM, respectively (Ellman's colorimetric assay). Molecular docking studies showed it binds to the active site of AChE, forming hydrogen bonds with key amino acid residues (Ser125, Tyr121) and hydrophobic interactions with the aromatic pocket, which is consistent with its inhibitory activity [1]
- 8-Deoxygartanin exhibited cytotoxic activity against human tumor cell lines. It inhibited the proliferation of A549 (lung adenocarcinoma), MCF-7 (breast cancer), and HT-29 (colorectal cancer) cells with IC50 values of 18.5 ± 1.2 μM, 22.3 ± 1.5 μM, and 25.7 ± 1.8 μM, respectively (MTT assay). No significant cytotoxicity was observed against normal human fibroblasts (WI-38) at concentrations up to 50 μM, showing moderate tumor selectivity [3] |
| Enzyme Assay |
- AChE inhibition assay: Human recombinant AChE was dissolved in phosphate buffer (pH 8.0). 8-Deoxygartanin (0.1-50 μM) was pre-incubated with AChE for 15 minutes at 37°C, followed by addition of acetylthiocholine iodide (substrate) and 5,5'-dithiobis-(2-nitrobenzoic acid) (DTNB). The absorbance at 412 nm was measured continuously for 10 minutes to assess the rate of thiocholine production, and IC50 values were calculated from dose-response curves [1]
- BChE inhibition assay: Equine serum BChE was prepared in phosphate buffer (pH 8.0). 8-Deoxygartanin (0.1-50 μM) was incubated with BChE for 15 minutes at 37°C, then butyrylthiocholine iodide (substrate) and DTNB were added. Absorbance at 412 nm was recorded for 10 minutes, and the inhibition rate of BChE activity was determined to calculate IC50 [1] |
| Cell Assay |
- Tumor cell cytotoxicity assay: Human tumor cells (A549, MCF-7, HT-29) and normal fibroblasts (WI-38) were seeded in 96-well plates at a density of 5×10³ cells/well and cultured overnight. 8-Deoxygartanin (1-100 μM) was added, and cells were incubated at 37°C in 5% CO₂ for 72 hours. MTT reagent was added to each well, and after 4 hours of incubation, the supernatant was removed, and formazan crystals were dissolved in DMSO. Absorbance at 570 nm was measured to calculate cell viability and IC50 values [3]
|
| References |
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| Additional Infomation |
8-Deoxygatanine belongs to the xanthones.
8-Deoxygatanine has been reported to exist in apple wood (Maclura pomifera), Garcinia intermedia, and other organisms with relevant data. - 8-Deoxygatanine is a naturally occurring isoprenyl xanthones, isolated from the bark of mangosteen (Garcinia mangostana)[1][3]. - Its core biological activities include cholinesterase inhibition and moderate tumor cytotoxicity. Cholinesterase inhibition suggests its potential application in the study of cognitive impairment (e.g., Alzheimer's disease)[1]; tumor-selective cytotoxicity suggests its value in the development of anticancer drugs[3]. - Molecular docking studies have revealed its binding mode with the active site of acetylcholinesterase (AChE), which involves hydrogen bonding and hydrophobic interactions, providing a structural basis for its cholinesterase inhibitory activity[1]. |
| Molecular Formula |
C23H24O5
|
|---|---|
| Molecular Weight |
380.43400
|
| Exact Mass |
380.162
|
| CAS # |
33390-41-9
|
| PubChem CID |
392450
|
| Appearance |
Light yellow to yellow solid powder
|
| Density |
1.3±0.1 g/cm3
|
| Boiling Point |
595.7±50.0 °C at 760 mmHg
|
| Melting Point |
165.5 °C
|
| Flash Point |
207.2±23.6 °C
|
| Vapour Pressure |
0.0±1.7 mmHg at 25°C
|
| Index of Refraction |
1.637
|
| LogP |
5.35
|
| Hydrogen Bond Donor Count |
3
|
| Hydrogen Bond Acceptor Count |
5
|
| Rotatable Bond Count |
4
|
| Heavy Atom Count |
28
|
| Complexity |
631
|
| Defined Atom Stereocenter Count |
0
|
| InChi Key |
GVQOVMKBYJKZSY-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C23H24O5/c1-12(2)8-10-14-19(25)16(11-9-13(3)4)23-18(20(14)26)21(27)15-6-5-7-17(24)22(15)28-23/h5-9,24-26H,10-11H2,1-4H3
|
| Chemical Name |
1,3,5-trihydroxy-2,4-bis(3-methylbut-2-enyl)xanthen-9-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: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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 (~262.86 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 | 2.6286 mL | 13.1430 mL | 26.2860 mL | |
| 5 mM | 0.5257 mL | 2.6286 mL | 5.2572 mL | |
| 10 mM | 0.2629 mL | 1.3143 mL | 2.6286 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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