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Dehydrotumulosic acid

Cat No.:V29670 Purity: ≥98%
Dehydrotumulosic acid is one of the active ingredients of Poria cocos.
Dehydrotumulosic acid
Dehydrotumulosic acid Chemical Structure CAS No.: 6754-16-1
Product category: New1
This product is for research use only, not for human use. We do not sell to patients.
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Product Description
Dehydrotumulosic acid is one of the active ingredients of Poria cocos. Poria cocos is a popular source of fungi in Chinese herbal medicine and has pharmacological uses as a diuretic, excretory dampness, spleen and tranquilizer, as well as in regulating the body's immune system.
Dehydrotumulosic acid (CAS#: 6754-16-1) is a triterpenoid extracted from the sclerotium of Poria cocos, a popular source of fungi in Chinese herbal medicine. The compound has a molecular formula of C31H48O4 and a molecular weight of 484.71. Poria cocos has pharmacological uses as a diuretic, for excretory dampness, as a spleen tonic and tranquilizer, as well as in regulating the body's immune system. Dehydrotumulosic acid is one of the effective constituents of Poria cocos and exhibits anti-inflammatory, antioxidant, and nephroprotective effects, particularly in regulating renal fibrosis and improving kidney function.
Biological Activity I Assay Protocols (From Reference)
Targets
Dehydrotumulosic acid targets the glucocorticoid receptor (GR) as an agonist. It also acts as a phospholipase A2 inhibitor with an IC50 of 0.845 mM. The compound shows anti-inflammatory activity and has been studied for its effects on renal fibrosis and kidney function. As a triterpenoid from Poria cocos, it is involved in immunomodulation and exhibits dual antiviral and anti-inflammatory benefits. The compound's interaction with the glucocorticoid receptor is thought to mediate its anti-inflammatory effects.
ln Vitro
In vitro studies have demonstrated that Dehydrotumulosic acid exhibits phospholipase A2 inhibitory activity with an IC50 of 0.845 mM. The compound shows anti-inflammatory activity in various in vitro assays. It also exhibits antioxidant and nephroprotective effects. As a glucocorticoid receptor agonist, dehydrotumulosic acid has been shown to have effects that are more sustained than those of dexamethasone, highlighting its potential for dual antiviral and anti-inflammatory benefits. These in vitro activities support the compound's traditional use in Chinese herbal medicine.
ln Vivo
In vivo studies have demonstrated that Dehydrotumulosic acid is active in different models of acute and chronic inflammation. It significantly diminished mouse ear edema induced by ethyl phenylpropiolate. The compound has been shown to exert anti-inflammatory, antioxidant, and nephroprotective effects in vivo, particularly in regulating renal fibrosis and improving kidney function. These in vivo activities support the traditional use of Poria cocos for its pharmacological effects and suggest potential therapeutic applications for dehydrotumulosic acid in inflammatory and renal diseases.
Enzyme Assay
The in vitro enzyme assays for Dehydrotumulosic acid typically involve measuring its inhibition of phospholipase A2 activity. In these assays, the compound is incubated with phospholipase A2 and a suitable substrate, and the enzyme activity is measured using colorimetric or fluorometric detection methods. The IC50 value is calculated from dose-response curves. For glucocorticoid receptor binding assays, the compound's affinity for the receptor is measured using radioligand binding or cell-based reporter assays. These assays are standard for characterizing the compound's anti-inflammatory and enzyme inhibitory activities.
Cell Assay
Cellular assays for Dehydrotumulosic acid are conducted using various cell lines to assess its anti-inflammatory, antioxidant, and nephroprotective effects. Cells are treated with varying concentrations of the compound, and markers of inflammation, oxidative stress, and cell viability are measured. For anti-inflammatory studies, cells are stimulated with inflammatory agents, and cytokine production and NF-kappaB activation are assessed. For nephroprotective studies, kidney cells are exposed to nephrotoxic agents, and cell damage is assessed. These cell-based assays confirm the compound's biological activities and provide insights into its mechanism of action.
Animal Protocol
In vivo animal studies for Dehydrotumulosic acid are conducted in mouse and rat models of inflammation and renal disease. For anti-inflammatory studies, mouse ear edema induced by ethyl phenylpropiolate is used to assess the compound's ability to reduce inflammation. For nephroprotective studies, animal models of renal fibrosis are used, and kidney function and histopathology are assessed. The compound is administered orally or by injection at various doses, and efficacy is assessed by measuring biochemical markers, tissue histopathology, and functional outcomes. These studies confirm the compound's in vivo efficacy and support its potential therapeutic applications.
ADME/Pharmacokinetics
Dehydrotumulosic acid has a molecular weight of 484.71 and a molecular formula of C31H48O4. The compound appears as a white powder. For research use, dehydrotumulosic acid is typically stored as powder at -20degC for up to 3 years or at 4degC for up to 2 years. The compound is soluble in appropriate organic solvents for biochemical and cell-based assays. Detailed pharmacokinetic parameters such as oral bioavailability, half-life, and tissue distribution have not been determined for this compound.
Toxicity/Toxicokinetics
Toxicological data for Dehydrotumulosic acid are limited. As a natural product from Poria cocos, which has a long history of traditional medicinal use, the compound is presumed to have a reasonable safety profile. Poria cocos has been consumed as a traditional medicine with no major safety concerns reported. However, the specific toxicity profile of purified dehydrotumulosic acid has not been systematically evaluated in preclinical studies. Standard toxicological assessments would be needed to establish the safety profile for any potential therapeutic applications.
References

[1]. The isolation, identification and determination of dehydrotumulosic acid in Poria cocos. Anal Sci. 2002 May;18(5):529-31.

Additional Infomation
Reports indicate that dehydro-dehydro ...
Dehydrotumulosic acid (CAS#: 6754-16-1) is a triterpenoid from Poria cocos, a fungus used in Chinese herbal medicine. It has a molecular formula of C31H48O4 and a molecular weight of 484.71. The compound exhibits anti-inflammatory, antioxidant, and nephroprotective effects, acts as a glucocorticoid receptor agonist, and inhibits phospholipase A2 with an IC50 of 0.845 mM. Dehydrotumulosic acid is not approved for clinical use and is available only for research purposes in natural product chemistry and pharmacology.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C31H48O4
Molecular Weight
484.7104
Exact Mass
484.355
CAS #
6754-16-1
PubChem CID
15225964
Appearance
White to off-white solid powder
Density
1.11±0.1 g/cm3
Boiling Point
621.7±55.0 °C
Melting Point
272-275°C
LogP
6.536
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
6
Heavy Atom Count
35
Complexity
957
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)O)C)C)C)O)C(=O)O
InChi Key
LADJWZMBZBVBSB-YEXRKOARSA-N
InChi Code
InChI=1S/C31H48O4/c1-18(2)19(3)9-10-20(27(34)35)26-23(32)17-31(8)22-11-12-24-28(4,5)25(33)14-15-29(24,6)21(22)13-16-30(26,31)7/h11,13,18,20,23-26,32-33H,3,9-10,12,14-17H2,1-2,4-8H3,(H,34,35)/t20-,23-,24+,25+,26+,29-,30-,31+/m1/s1
Chemical Name
(2R)-2-[(3S,5R,10S,13R,14R,16R,17R)-3,16-dihydroxy-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
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 Data
Solubility (In Vitro)
DMSO : ~33.33 mg/mL (~68.76 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
(e.g. IP/IV/IM/SC)
Injection Formulation 1: DMSO : Tween 80: Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution 50 μL Tween 80 850 μL Saline)
*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 : PEG300Tween 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).
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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)]
*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.
Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin 500 μL Saline)
Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO 100 μLPEG300 200 μL castor oil 650 μL Saline)
Injection Formulation 7: Ethanol : Cremophor : Saline = 10: 10 : 80 (i.e. 100 μL Ethanol 100 μL Cremophor 800 μL Saline)
Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline
Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH 900 μL Corn oil)
Injection Formulation 10: EtOH : PEG300Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH 400 μLPEG300 50 μL Tween 80 450 μL 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).
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Oral Formulation 3: Dissolved in PEG400
Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose
Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose
Oral Formulation 6: Mixing with food powders


Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 2.0631 mL 10.3154 mL 20.6309 mL
5 mM 0.4126 mL 2.0631 mL 4.1262 mL
10 mM 0.2063 mL 1.0315 mL 2.0631 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.

Calculator

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An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
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  • Enter 10 in the Concentration box and choose the correct unit (mM)
  • Enter 5 in the Volume box and choose the correct unit (mL)
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  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
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  • Enter 25 into the Concentration (End) box and select the correct unit (mM)
  • Enter 25 into the Volume (End) box and choose the correct unit (mL)
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  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
Instructions to calculate molar mass (molecular weight) of a chemical compound:
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Definitions of molecular mass, molecular weight, molar mass and molar weight:
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  • Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.
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  • The answer appears in the Volume (to add to vial) box
In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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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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