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Atractylenolide III

Alias: ICodonolactone; Atractylenolide III; 8β-Hydroxyasterolide
Cat No.:V29493 Purity: ≥98%
Atractylenolide III (ICodonolactone) is the major component of Atractylodes rhizome and has the activity of inducing apoptosis in lung cancer/tumor cells.
Atractylenolide III
Atractylenolide III Chemical Structure CAS No.: 73030-71-4
Product category: Apoptosis
This product is for research use only, not for human use. We do not sell to patients.
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Product Description
Atractylenolide III (ICodonolactone) is the major component of Atractylodes rhizome and has the activity of inducing apoptosis in lung cancer/tumor cells. Atractylenolide III is an orally bioactive gastroprotective agent.
Biological Activity I Assay Protocols (From Reference)
ln Vitro
Atractylenolide III (1-100 μM, 48 h) stimulates A549 cells and induces caspase-3 and caspase-9 activation and PARP localization [1]. Atractylenolide III (1-100 μM, 72 hours) decreases the swelling of HUVECs and Atractylenolide III (1-100 μM) inhibits thymobasalpoietin (TSLP)-induced pro-inflammatory cytokines (IL-6, IL- 1b, TNF-α and IL- ).
ln Vivo
Atractylenolide III (5 and 10 mg/kg, p.o.) decreases the 70% ethanol-induced gastrointestinal ulcer in rats and has gastroprotective properties[2]. Atractylenolide III (30 mg/kg, orally administered for 14 or 28 days) attenuates depressive and anxiogenic-like behaviors in rat depression models caused by chronic unpredictable mild stress (CUMS) and lipopolysaccharide (LPS) (HY-D1056)[5].
Cell Assay
Western Blot Analysis[1]
Cell Types: A549
Tested Concentrations: 1, 10, 100 μM
Incubation Duration: 24 h, 48 h
Experimental Results: Increased active forms of caspase-9, caspase-3 and caspase-3. PARP was cleaved at 48 hrs (hours). The expression of pro-apoptotic protein bax increased at 24 hrs (hours) and induced AIF translocation to the nucleus.
Animal Protocol
Animal/Disease Models: 70% ethanol induced gastric ulcer in rats [2]
Doses: 5 and 10 mg/kg
Route of Administration: Oral
Experimental Results:Inhibition of gastric ulcer Formation and gastric mucosal necrosis and erosion. Downregulates MMP-2/9 expression through activation of TIMP-2 and TIMP-1 expression.
References
[1]. Kang TH, et al. Atractylenolide III, a sesquiterpenoid, induces apoptosis in human lung carcinoma A549 cells via mitochondria-mediated death pathway. Food Chem Toxicol. 2011 Feb;49(2):514-9.
[2]. Wang KT, et al. Gastroprotective activity of atractylenolide III from Atractylodes ovata on ethanol-induced gastric ulcer in vitro and in vivo. J Pharm Pharmacol. 2010 Mar;62(3):381-8.
[3]. Kim HK, et al. Toxicity of atractylon and atractylenolide III Identified in Atractylodes ovata rhizome to Dermatophagoides farinae and Dermatophagoides pteronyssinus. J Agric Food Chem. 2007 Jul 25;55(15):6027-31.
[4]. Yoou MS, et al. Ameliorative effect of atractylenolide III in the mast cell proliferation induced by TSLP. Food Chem Toxicol. 2017 Aug;106(Pt A):78-85.
[5]. Zhou Y, et al. Atractylenolide III reduces depressive- and anxiogenic-like behaviors in rat depression models. Neurosci Lett. 2021 Aug 10;759:136050.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C15H20O3
Molecular Weight
248.3175
Exact Mass
248.14124450
CAS #
73030-71-4
Related CAS #
73030-71-4
Appearance
Solid
SMILES
CC1=C2C[C@H]3C(=C)CCC[C@@]3(C[C@@]2(OC1=O)O)C
InChi Key
FBMORZZOJSDNRQ-GLQYFDAESA-N
InChi Code
InChI=1S/C15H20O3/c1-9-5-4-6-14(3)8-15(17)12(7-11(9)14)10(2)13(16)18-15/h11,17H,1,4-8H2,2-3H3/t11-,14+,15-/m0/s1
Chemical Name
(4aS,8aR,9aS)-9a-hydroxy-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-2-one
Synonyms
ICodonolactone; Atractylenolide III; 8β-Hydroxyasterolide
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: ~50 mg/mL (~201.4 mM)
Ethanol: ~50 mg/mL (~201.4 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.5 mg/mL (10.07 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 (10.07 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 (10.07 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 4.0271 mL 20.1353 mL 40.2706 mL
5 mM 0.8054 mL 4.0271 mL 8.0541 mL
10 mM 0.4027 mL 2.0135 mL 4.0271 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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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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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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Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
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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.

Biological Data
  • Cytoprotective effects of atractylenolide II and atractylenolide III extracted from Atractylodes ovata. J Pharm Pharmacol . 2010 Mar;62(3):381-8.
  • Effects of atractylenolide III against 70% ethanol-induced gastric ulcers and correlation with matrix metalloproteinase protein expression and enzyme activity. J Pharm Pharmacol . 2010 Mar;62(3):381-8.
  • Histological analysis of the gastroprotective effects of atractylenolide III against ethanol-induced gastric ulcer in rats. J Pharm Pharmacol . 2010 Mar;62(3):381-8.
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