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Atractylenolide II

Alias: 2 AtractylenolideAsterolideAtractylenolide II 2Atractylenolide2-Atractylenolide
Cat No.:V29490 Purity: ≥98%
Atractylenolide II is a sesquiterpenoid compound extracted from the dried rhizome of Atractylodes rhizome and has anti-proliferation activity.
Atractylenolide II
Atractylenolide II Chemical Structure CAS No.: 73069-14-4
Product category: New1
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
10mg
25mg
50mg
Other Sizes
Official Supplier of:
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Product Description
Atractylenolide II is a sesquiterpenoid compound extracted from the dried rhizome of Atractylodes rhizome and has anti-proliferation activity.
Atractylenolide II (CAS# 73069-14-4) is a sesquiterpenoid compound isolated from the dry rhizome of Atractylodes macrocephala. It has anti-proliferative activity and induces G1 cell cycle arrest in B16 melanoma cells. It also exhibits diverse biological activities, including anti-inflammatory and anti-tumor effects.
Biological Activity I Assay Protocols (From Reference)
Targets
Atractylenolide II targets cell cycle regulation and proliferation pathways. It inhibits proliferation and halts the cell cycle at the G2/M phase in some cell lines. It induces apoptosis in cancer cells. Its precise molecular targets are still being investigated.
ln Vitro
In vitro, Atractylenolide II has anti-proliferative activity. It induces G1 cell cycle arrest in B16 melanoma cells. It also inhibits proliferation and halts the cell cycle at the G2/M phase in other cell lines. It induces apoptosis in cancer cells.
ln Vivo
In vivo activity data for Atractylenolide II are limited. Its anti-inflammatory and anti-tumor activities suggest potential in vivo efficacy in models of inflammation and cancer. Further in vivo studies are needed to confirm its therapeutic potential.
Enzyme Assay
In vitro cell proliferation assays for Atractylenolide II are performed using B16 melanoma cells or other cancer cell lines. Cells are seeded in 96-well plates and 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. Cell cycle analysis is performed by flow cytometry.
Cell Assay
In vitro cellular assays for Atractylenolide II are performed using B16 melanoma cells or other cancer cell lines. Cells are treated with compound concentrations ranging from 0.1 to 100 µM for 24-72 hours. Apoptosis is evaluated by flow cytometry using Annexin V/PI staining or by measuring caspase-3/7 activity.
Animal Protocol
In vivo animal studies for Atractylenolide II would typically utilize rodent models of cancer or inflammation. Tumor xenograft models are used to assess antitumor efficacy. The compound is administered orally or intraperitoneally. Endpoints include tumor growth, survival, and histopathology.
ADME/Pharmacokinetics
Pharmacokinetic properties of Atractylenolide II are not well characterized. The compound has a molecular weight of 232.32. It is soluble in DMSO (10 mM). Standard PK studies in rodents would be required to determine half-life, bioavailability, and tissue distribution.
Toxicity/Toxicokinetics
Toxicological data for Atractylenolide II are limited. As a natural product-derived compound, it may have a moderate safety profile. No significant acute toxicity has been reported. Standard toxicity screening would involve acute and repeated-dose studies in rodents.
References

[1]. Atractylenolide II induces G1 cell-cycle arrest and apoptosis in B16 melanoma cells. J Ethnopharmacol. 2011 Jun 14;136(1):279-82.

[2]. Inhibition of STAT3 signalling contributes to the antimelanoma action of atractylenolide II. Exp Dermatol. 2014 Nov;23(11):855-7.

Additional Infomation
Atractylenolide II is a sesquiterpene lactone. It has been reported to exist in Codonopsis pilosula, Calendula officinalis, and other organisms with relevant data.
Atractylenolide II is a sesquiterpenoid from Atractylodes macrocephala with anti-proliferative activity, inducing G1 cell cycle arrest in B16 melanoma cells. It also exhibits anti-inflammatory and anti-tumor effects. It is not clinically approved and is used as a research tool.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C₁₅H₂₀O₂
Molecular Weight
232.32
Exact Mass
232.146
CAS #
73069-14-4
PubChem CID
14448070
Appearance
White to off-white solid powder
Density
1.1±0.1 g/cm3
Boiling Point
378.0±41.0 °C at 760 mmHg
Flash Point
158.7±25.0 °C
Vapour Pressure
0.0±0.9 mmHg at 25°C
Index of Refraction
1.535
LogP
3.61
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Heavy Atom Count
17
Complexity
432
Defined Atom Stereocenter Count
3
SMILES
CC1=C2C[C@H]3C(=C)CCC[C@@]3(C[C@@H]2OC1=O)C
InChi Key
OQYBLUDOOFOBPO-KCQAQPDRSA-N
InChi Code
InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h12-13H,1,4-8H2,2-3H3/t12-,13-,15+/m0/s1
Chemical Name
(4aS,8aR,9aS)-3,8a-dimethyl-5-methylene-4a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(4H)-one
Synonyms
2 AtractylenolideAsterolideAtractylenolide II 2Atractylenolide2-Atractylenolide
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 (~430.44 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.5 mg/mL (10.76 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (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 25.0 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: ≥ 2.5 mg/mL (10.76 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (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 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly.
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.

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Solubility in Formulation 3: ≥ 2.5 mg/mL (10.76 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 25.0 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 4.3044 mL 21.5220 mL 43.0441 mL
5 mM 0.8609 mL 4.3044 mL 8.6088 mL
10 mM 0.4304 mL 2.1522 mL 4.3044 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 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
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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:
  • Molecular mass (or molecular weight) is the mass of one molecule of a substance and is expressed in the unified atomic mass units (u). (1 u is equal to 1/12 the mass of one atom of carbon-12)
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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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