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| 5mg |
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| Targets |
Dehydropachymic acid targets the autophagy-lysosome pathway (ALP). It is more effective in cells with impaired ALP than in normal cells. It also exhibits moderate cytotoxicities against cancer cells. Its anti-inflammatory activity suggests it may modulate inflammatory signaling pathways.
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|---|---|
| ln Vitro |
In vitro, Dehydropachymic acid exhibits moderate cytotoxicities, with IC50 values of 20.5 μM against a human colon carcinoma cell line. It is more effective in autophagy-lysosome pathway (ALP) impaired cells than in normal cells. It has anti-inflammatory activity.
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| ln Vivo |
In vivo activity data for Dehydropachymic acid are limited. Its anti-inflammatory and cytotoxic activities suggest potential in vivo efficacy in models of inflammation and cancer. Its ability to modulate the autophagy-lysosome pathway may be relevant to neurodegenerative diseases where ALP is impaired. Further in vivo studies are needed.
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| Enzyme Assay |
In vitro assays for Dehydropachymic acid are conducted to evaluate its cytotoxicity and effects on the autophagy-lysosome pathway. Cytotoxicity is assessed using MTT or CCK-8 assays in cancer cell lines. Autophagy-lysosome pathway activity is evaluated by measuring autophagic flux using LC3-II levels, p62 degradation, and lysosomal staining in normal and ALP-impaired cells.
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| Cell Assay |
Cellular assays for Dehydropachymic acid are performed using human colon carcinoma cell lines and other cancer cells. Cells are treated with compound concentrations ranging from 0.1 to 100 µM for 24-72 hours. Cell viability is assessed using MTT or CCK-8 assays. Autophagy markers (LC3-II, p62) are analyzed by Western blotting. Lysosomal function is assessed using lysosomal probes.
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| Animal Protocol |
In vivo animal studies for Dehydropachymic acid would typically utilize tumor xenograft models or models of inflammation. The compound is administered orally or intraperitoneally. Endpoints include tumor growth, inflammatory markers, and histopathological evaluation.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of Dehydropachymic acid are not well characterized. The compound has a molecular weight of 526.76 and a molecular formula of C33H50O5. As a lipophilic triterpenoid, it is expected to have good membrane permeability and oral absorption. Standard PK studies in rodents would be required.
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| Toxicity/Toxicokinetics |
Toxicological data for Dehydropachymic acid are limited. As a natural product-derived compound, it may have a moderate safety profile. No significant acute toxicity has been reported. The compound is designated for research use only.
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| References | |
| Additional Infomation |
Reports indicate that Phellodendron bark and Acorus calamus contain dehydropachiic acid, and relevant data is available for reference.
Dehydropachymic acid is a triterpenoid from Poria cocos with anti-inflammatory activity. It exhibits moderate cytotoxicity against human colon carcinoma cells (IC50 = 20.5 μM). It is more effective in autophagy-lysosome pathway (ALP) impaired cells. It has a molecular weight of 526.76 and formula C33H50O5. It is not clinically approved. |
| Molecular Formula |
C33H50O5
|
|---|---|
| Molecular Weight |
526.7471
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| Exact Mass |
526.365
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| CAS # |
77012-31-8
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| PubChem CID |
15226717
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| Appearance |
White to off-white solid powder
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
629.3±55.0 °C at 760 mmHg
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| Flash Point |
192.1±25.0 °C
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| Vapour Pressure |
0.0±4.2 mmHg at 25°C
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| Index of Refraction |
1.549
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| LogP |
8.16
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
38
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| Complexity |
1070
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| Defined Atom Stereocenter Count |
8
|
| SMILES |
CC(C)C(=C)CC[C@H]([C@H]1[C@@H](C[C@@]2([C@@]1(CC=C3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)OC(=O)C)C)C)C)O)C(=O)O
|
| InChi Key |
RWIALJIVPUCERT-DRCQUEPLSA-N
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| InChi Code |
InChI=1S/C33H50O5/c1-19(2)20(3)10-11-22(29(36)37)28-25(35)18-33(9)24-12-13-26-30(5,6)27(38-21(4)34)15-16-31(26,7)23(24)14-17-32(28,33)8/h12,14,19,22,25-28,35H,3,10-11,13,15-18H2,1-2,4-9H3,(H,36,37)/t22-,25-,26+,27+,28+,31-,32-,33+/m1/s1
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| Chemical Name |
(2R)-2-[(3S,5R,10S,13R,14R,16R,17R)-3-acetyloxy-16-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid
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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 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)
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| Solubility (In Vitro) |
DMSO : ~12.5 mg/mL (~23.73 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: 0.42 mg/mL (0.80 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 4.2 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: ≥ 0.42 mg/mL (0.80 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 4.2 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.8984 mL | 9.4922 mL | 18.9843 mL | |
| 5 mM | 0.3797 mL | 1.8984 mL | 3.7969 mL | |
| 10 mM | 0.1898 mL | 0.9492 mL | 1.8984 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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