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6''-O-Acetylsaikosaponin A

Alias: 6''-O-Acetylsaikosaponin A
Cat No.:V62257 Purity: ≥98%
6''-O-Acetylsaikosaponin A, acetyl saikosaponin extracted from Bupleurum root, has certain osteoclast inhibitory activity.
6''-O-Acetylsaikosaponin A
6''-O-Acetylsaikosaponin A Chemical Structure CAS No.: 64340-46-1
Product category: Terpenoids
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
1mg
Other Sizes
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Product Description
6''-O-Acetylsaikosaponin A, acetyl saikosaponin isolated from Bupleurum root, has certain osteoclast inhibitory activity.
6''-O-Acetylsaikosaponin A (CAS# 64340-46-1) is an acetyl saikosaponin isolated from the roots of Bupleurum chinense. It has the molecular formula C44H70O14 and a molecular weight of 823.02. The compound has osteoclast inhibitory activity. It acts on pathways such as NF-κB and MAPK, reducing pro-inflammatory cytokine production and protecting liver cells from damage. 6''-O-Acetylsaikosaponin A is a promising candidate for treating liver diseases and inflammatory disorders.
Biological Activity I Assay Protocols (From Reference)
Targets
6''-O-Acetylsaikosaponin A targets osteoclasts, exhibiting osteoclast inhibitory activity. The compound acts on the NF-κB and MAPK pathways, reducing pro-inflammatory cytokine production. It protects liver cells from damage. Its multiple targets make it a promising candidate for treating liver diseases and inflammatory disorders.
ln Vitro
Saikosaponins are the main bioactive substances that have been isolated from R. bupleuri. Studies have shown that these compounds have important biological activities, such as anti-inflammatory, anti-tumor, anti-hepatitis, and immunoregulatory effects[2].
6''-O-Acetylsaikosaponin A shows osteoclast inhibitory activity in vitro. The compound reduces pro-inflammatory cytokine production by acting on NF-κB and MAPK pathways. It protects liver cells from damage. These in vitro findings support its potential applications in bone research, inflammation research, and liver disease research.
ln Vivo
In vivo studies of 6''-O-Acetylsaikosaponin A are limited as the compound is primarily used as a research chemical. Its osteoclast inhibitory activity and hepatoprotective effects suggest potential for in vivo evaluation in models of bone diseases and liver diseases. However, comprehensive in vivo pharmacological studies specifically targeting 6''-O-Acetylsaikosaponin A are not well documented. The compound is intended for research use only.
Enzyme Assay
In vitro enzyme/receptor binding assays for 6''-O-Acetylsaikosaponin A typically involve testing its osteoclast inhibitory activity. Osteoclast differentiation and activity are assessed using osteoclast culture systems. NF-κB and MAPK pathway inhibition is evaluated by measuring phosphorylation of downstream targets. Pro-inflammatory cytokine production is measured by ELISA. The compound's purity and identity are confirmed using analytical chemistry methods such as nuclear magnetic resonance spectroscopy, high-performance liquid chromatography, and mass spectrometry.
Cell Assay
In vitro cell-based assays for 6''-O-Acetylsaikosaponin A involve culturing osteoclasts to evaluate its inhibitory effects. Osteoclast differentiation and activity are assessed using TRAP staining and resorption assays. For hepatoprotective studies, liver cells are treated and cell viability is assessed. For anti-inflammatory studies, immune cells are treated and cytokine production is measured. Cell viability is assessed using MTT or similar colorimetric assays. All experiments are performed with appropriate controls.
Animal Protocol
In vivo animal experiments for 6''-O-Acetylsaikosaponin A would be conducted to evaluate its osteoclast inhibitory, hepatoprotective, and anti-inflammatory activities. For bone disease studies, animal models of osteoporosis would be used. For liver disease studies, animals with induced liver damage would be treated and liver function assessed. Parameters assessed would include bone density, liver enzymes, inflammatory markers, and tissue histopathology. Control groups receiving vehicle alone would be included for comparison.
ADME/Pharmacokinetics
The pharmacokinetic properties of 6''-O-Acetylsaikosaponin A reflect its nature as a saponin. It has a molecular weight of 823.02 and the molecular formula C44H70O14. The compound is stored at 4°C, protected from light. As a saponin, it has limited oral bioavailability. Complete pharmacokinetic profiling including absorption, distribution, metabolism, and excretion would require further systematic studies using appropriate analytical methods such as high-performance liquid chromatography-mass spectrometry.
Toxicity/Toxicokinetics
The toxicity profile of 6''-O-Acetylsaikosaponin A has been evaluated in the context of its use as a research chemical. As a naturally occurring saikosaponin from Bupleurum chinense, it is expected to have a safety profile similar to other saikosaponins. Proper handling procedures including use of personal protective equipment are recommended when working with the compound. The compound is not approved for human therapeutic use and is intended for research purposes only.
References

[1]. Osteoclast-inhibiting saikosaponin derivatives from Bupleurum chinense. Fitoterapia. 2013;85:101-108.

[2]. Fast determination of saikosaponins in Bupleurum by rapid resolution liquid chromatography with evaporative light scattering detection. J Pharm Biomed Anal. 2009;49(4):1048-1055.

Additional Infomation
According to reports, 6''-O-acetylsaikonin A has been found in Bupleurum chinense, Bupleurum chinense var. chinense, and other organisms with available data.
6''-O-Acetylsaikosaponin A (CAS# 64340-46-1) has the molecular formula C44H70O14 and a molecular weight of 823.02. The compound is an acetyl saikosaponin isolated from the roots of Bupleurum chinense. It shows osteoclast inhibitory activity. The compound acts on NF-κB and MAPK pathways, reducing pro-inflammatory cytokine production and protecting liver cells from damage. It is a promising candidate for treating liver diseases and inflammatory disorders.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C44H70O14
Molecular Weight
823.0182
Exact Mass
822.476
CAS #
64340-46-1
PubChem CID
21637629
Appearance
White to off-white solid
LogP
2.5
Hydrogen Bond Donor Count
7
Hydrogen Bond Acceptor Count
14
Rotatable Bond Count
8
Heavy Atom Count
58
Complexity
1610
Defined Atom Stereocenter Count
21
SMILES
C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2CC[C@]3([C@H]([C@]2(C)CO)CC[C@@]4([C@@H]3C=C[C@@]56[C@]4(C[C@@H]([C@@]7([C@H]5CC(CC7)(C)C)CO6)O)C)C)C)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)COC(=O)C)O)O)O)O
InChi Key
WDWZBAMDKXKRBA-HCYXLWPCSA-N
InChi Code
InChI=1S/C44H70O14/c1-22-30(48)35(58-36-33(51)32(50)31(49)24(56-36)19-53-23(2)46)34(52)37(55-22)57-29-11-12-39(5)25(40(29,6)20-45)9-13-41(7)26(39)10-14-44-27-17-38(3,4)15-16-43(27,21-54-44)28(47)18-42(41,44)8/h10,14,22,24-37,45,47-52H,9,11-13,15-21H2,1-8H3/t22-,24-,25-,26-,27-,28+,29+,30+,31-,32+,33-,34-,35+,36+,37+,39+,40+,41-,42+,43-,44+/m1/s1
Chemical Name
(2R,3S,4S,5R,6S)-6-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-[[(1S,2S,4S,5R,8R,9R,10S,13S,14R,17S,18R)-2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyloxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
Synonyms
6''-O-Acetylsaikosaponin A
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 Data
Solubility (In Vitro)
DMSO: 100 mg/mL (121.50 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 1.2150 mL 6.0752 mL 12.1504 mL
5 mM 0.2430 mL 1.2150 mL 2.4301 mL
10 mM 0.1215 mL 0.6075 mL 1.2150 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.

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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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