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Deapi-platycodin D3

Cat No.:V29661 Purity: ≥98%
Deapi-platycodin D3 is a triterpene saponin found in Platycodon root.
Deapi-platycodin D3
Deapi-platycodin D3 Chemical Structure CAS No.: 67884-05-3
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
Deapi-platycodin D3 is a triterpene saponin found in Platycodon root.
Deapi-platycodin D3 (CAS 67884-05-3), also known as 去芹糖桔梗皂苷D3, is a triterpenoid saponin isolated from the root of Platycodon grandiflorum A. de Candolle (balloon flower). With a molecular formula of C₅₈H₉₄O₂₉ and a molecular weight of 1255.35 g/mol, this compound is a natural product with expectorant and anti-inflammatory properties. Deapi-platycodin and platycodin D, as part of the aqueous extract of the root of Platycodon grandiflorum (APG), can regulate the production and secretion of airway mucin and, at least in part, explain the traditional use of aqueous extract of APG as expectorants in diverse inflammatory pulmonary diseases. The compound is practically insoluble in water (0.015 g/L at 25°C) and has a density of 1.57±0.1 g/cm³ at 20°C. It appears as a white crystalline powder.
Biological Activity I Assay Protocols (From Reference)
Targets
Deapi-platycodin D3 targets the pathways involved in airway mucin production and secretion. It regulates the production and secretion of airway mucin, which explains its traditional use as an expectorant in inflammatory pulmonary diseases. As a triterpenoid saponin, the compound may also interact with inflammatory signaling pathways, contributing to its anti-inflammatory effects. Its ability to regulate mucin production suggests interactions with airway epithelial cells and the signaling pathways that control mucin gene expression and secretion.
ln Vitro
In vitro studies have demonstrated that deapi-platycodin D3 can regulate the production and secretion of airway mucin in cell-based models. Its activity as an expectorant has been documented in various in vitro models of airway inflammation and mucin production. However, detailed in vitro potency data, such as IC₅₀ values or specific cellular effects, are not extensively documented in the available literature. The compound's ability to regulate mucin production makes it a valuable tool for studying airway inflammation and mucin biology.
ln Vivo
In vivo, deapi-platycodin D3 contributes to the expectorant effects of Platycodon grandiflorum root extract in diverse inflammatory pulmonary diseases. Its ability to regulate airway mucin production and secretion explains the traditional use of the plant as an expectorant. The compound's anti-inflammatory effects may contribute to its overall therapeutic benefits in pulmonary diseases. However, comprehensive in vivo efficacy and safety studies for deapi-platycodin D3 as a single agent are limited. The compound's natural occurrence in Platycodon grandiflorum, which has a long history of use in traditional medicine, supports its potential as a therapeutic agent.
Enzyme Assay
In vitro non-cell enzyme assays for deapi-platycodin D3 are not standard, as its mechanism is primarily studied in cell-based systems. However, the compound's effects on mucin production can be assessed using cell-free systems to measure the activity of enzymes involved in mucin synthesis or degradation. These assays provide quantitative data on the compound's direct effects on specific molecular targets involved in mucin biology.
Cell Assay
In vitro cell-based assays for deapi-platycodin D3 use airway epithelial cell lines to study its effects on mucin production and secretion. Cells are cultured in appropriate media and treated with varying concentrations of the compound. Parameters such as mucin production (by ELISA or Western blotting), mucin gene expression (by qPCR), and inflammatory cytokine production (by ELISA) are assessed. Cell viability is assessed using MTT or similar assays. These studies help to characterize the compound's cellular mechanism of action and its effects on airway inflammation.
Animal Protocol
In vivo animal studies for deapi-platycodin D3 would likely employ models of inflammatory pulmonary diseases, such as chronic obstructive pulmonary disease (COPD) or asthma. The compound is administered orally or intraperitoneally, and parameters such as airway mucin production, inflammatory cell infiltration, and cytokine levels in bronchoalveolar lavage fluid (BALF) are assessed. Histopathological examination of lung tissues is performed to evaluate the compound's effects on airway inflammation and mucin production. Pharmacokinetic studies in these models provide information about the compound's absorption, distribution, metabolism, and excretion.
ADME/Pharmacokinetics
Deapi-platycodin D3 has a molecular weight of 1255.35 g/mol and a molecular formula of C₅₈H₉₄O₂₉. It is a triterpenoid saponin that appears as a white crystalline powder. The compound is practically insoluble in water (0.015 g/L at 25°C) and has a density of 1.57±0.1 g/cm³ at 20°C. It should be stored under appropriate conditions as recommended by the manufacturer. Detailed pharmacokinetic parameters such as absorption, distribution, metabolism, and excretion have not been extensively characterized. As a saponin with a high molecular weight, deapi-platycodin D3 is expected to have poor oral bioavailability.
Toxicity/Toxicokinetics
The toxicity profile of deapi-platycodin D3 has not been comprehensively evaluated in published studies. As a natural saponin from Platycodon grandiflorum, which has a long history of use in traditional medicine, it is generally considered to have low to moderate toxicity. Saponins can have hemolytic activity and may cause gastrointestinal irritation at high doses. The compound is classified as a research reagent and is not intended for human therapeutic use without further safety evaluation. Standard laboratory safety precautions should be followed when handling the compound.
References

[1]. Platycoside N: a new oleanane-type triterpenoid saponin from the roots of Platycodon grandiflorum. Molecules. 2010 Nov 30;15(12):8702-8.

Additional Infomation
Deapio-platycodin D3 is a triterpenoid saponin that acts as a metabolite. It has been reported that Platycodon grandiflorus contains Deapio-platycodin D3, and relevant data are available for reference.
Deapi-platycodin D3 is a triterpenoid saponin isolated from the root of Platycodon grandiflorum A. de Candolle. It is also known as 去芹糖桔梗皂苷D3 in Chinese. The compound can regulate the production and secretion of airway mucin, explaining the traditional use of the plant as an expectorant in diverse inflammatory pulmonary diseases. It appears as a white crystalline powder and is practically insoluble in water. Not approved for clinical use; intended for research purposes only.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C58H94O29
Molecular Weight
1255.3496
Exact Mass
1254.588
CAS #
67884-05-3
PubChem CID
70698190
Appearance
White to off-white solid powder
Density
1.6±0.1 g/cm3
Index of Refraction
1.662
LogP
-0.59
Hydrogen Bond Donor Count
18
Hydrogen Bond Acceptor Count
29
Rotatable Bond Count
15
Heavy Atom Count
87
Complexity
2420
Defined Atom Stereocenter Count
33
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](CO[C@H]2OC(=O)[C@]34CCC(C[C@H]3C5=CC[C@H]6[C@]([C@@]5(C[C@H]4O)C)(CC[C@@H]7[C@@]6(C[C@@H]([C@@H](C7(CO)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O)O)O)C)C)(C)C)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O
InChi Key
QDTKFVBGHXCISC-UEZGXTIOSA-N
InChi Code
InChI=1S/C58H94O29/c1-22-44(84-48-40(73)33(66)26(63)17-78-48)39(72)43(76)49(81-22)85-45-34(67)27(64)18-79-51(45)87-52(77)58-12-11-53(2,3)13-24(58)23-7-8-30-54(4)14-25(62)46(57(20-60,21-61)31(54)9-10-55(30,5)56(23,6)15-32(58)65)86-50-42(75)38(71)36(69)29(83-50)19-80-47-41(74)37(70)35(68)28(16-59)82-47/h7,22,24-51,59-76H,8-21H2,1-6H3/t22-,24-,25-,26+,27-,28+,29+,30+,31+,32+,33-,34-,35+,36+,37-,38-,39-,40+,41+,42+,43+,44-,45+,46-,47+,48-,49-,50-,51-,54+,55+,56+,58+/m0/s1
Chemical Name
[(2S,3R,4S,5S)-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,10R,11S,12aR,14bS)-5,11-dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
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: 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)
Solubility Data
Solubility (In Vitro)
DMSO : ~100 mg/mL (~79.66 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 0.7966 mL 3.9830 mL 7.9659 mL
5 mM 0.1593 mL 0.7966 mL 1.5932 mL
10 mM 0.0797 mL 0.3983 mL 0.7966 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

Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

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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 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 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

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Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
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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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