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Timosaponin AIII

Cat No.:V16464 Purity: ≥98%
Timosaponin AIII is a novel and potent acetylcholinesterase (AChE) inhibitor (IC50 = 35.4 μM) and also an inhibitor of U46619-induced rat platelet aggregation.
Timosaponin AIII
Timosaponin AIII Chemical Structure CAS No.: 41059-79-4
Product category: New12
This product is for research use only, not for human use. We do not sell to patients.
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Product Description
Timosaponin AIII is a novel and potent acetylcholinesterase (AChE) inhibitor (IC50 = 35.4 μM) and also an inhibitor of U46619-induced rat platelet aggregation.
Timosaponin AIII (TAIII) is a steroidal saponin isolated from the rhizomes of Anemarrhena asphodeloides. It is a natural product with a role as a metabolite. Timosaponin AIII exhibits anticancer, anti-inflammatory, and antithrombotic activities. It also ameliorates learning and memory deficits in mice. The compound has amphiphilic properties.
Biological Activity I Assay Protocols (From Reference)
Targets
The primary targets of Timosaponin AIII include the PI3K/Akt, MAPK, and NF-κB signaling pathways. It modulates these pathways, inducing apoptosis, inhibiting proliferation and migration of cancer cells, and exhibiting anti-inflammatory and antioxidant effects. The compound's ability to modulate multiple signaling pathways contributes to its diverse biological activities.
ln Vitro
Acetylcholinesterase (AChE) activity is inhibited by timosaponin AIII, with an IC50 of 35.4 μM[1]. The primary selective cytotoxic effect of BN108 is thought to be mediated by timosaponin AIII, which also induces ER stress, protective autophagy, and mTOR inhibition [2].
In vitro, Timosaponin AIII has been shown to have anticancer, anti-inflammatory, and antioxidant activities. It modulates the PI3K/Akt, MAPK, and NF-κB signaling pathways, inducing apoptosis and inhibiting proliferation of cancer cells. The compound's biochemical profile includes antioxidant and anti-inflammatory activities.
ln Vivo
Timosaponin AIII (TA3) was the most successful steroidal saponin in addressing memory impairments among those that were examined. Scopolamine-induced step delay reduction was enhanced by timosaponin AIII by 17% (10 mg/kg), 28% (20 mg/kg), and 43% (40 mg/kg). During acquisition trials, no variations in latency were noticed. The efficient inhibition of acetylcholine decrease in the brains of mice treated with scopolamine is achieved by timosaponin AIII (20, 40 mg/kg, po). Timosaponin AIII's inhibitory effect is similar to that of tacrine, which is employed as a positive control [1].
In vivo, Timosaponin AIII has been shown to ameliorate learning and memory deficits in mice. It also exhibits antithrombotic activity. The compound's anti-inflammatory effects have been confirmed in various animal models. However, specific detailed in vivo protocols are limited in the available literature.
Enzyme Assay
In vitro enzyme or receptor binding assays for Timosaponin AIII are not typically performed, as it does not have a single specific target. Its activity is assessed in cell-based assays rather than direct enzyme inhibition studies. The compound's ability to modulate signaling pathways is studied by measuring changes in protein phosphorylation and gene expression.
Cell Assay
In vitro cell-based assays for Timosaponin AIII are performed using various cancer cell lines. Cells are treated with the compound, and cell viability, proliferation, and apoptosis are assessed using standard assays. The modulation of PI3K/Akt, MAPK, and NF-κB signaling pathways is analyzed by Western blotting.
Animal Protocol
In vivo animal experiments for Timosaponin AIII are conducted using mouse models. The compound has been shown to ameliorate learning and memory deficits in mice. However, specific detailed protocols for in vivo studies are not well-documented. The compound is typically administered orally or intraperitoneally in preclinical studies.
ADME/Pharmacokinetics
Pharmacokinetic (PK) properties of Timosaponin AIII indicate that it has a molecular weight of 740.92 and a molecular formula of C39H64O13. It has a melting point of 317-322°C. The compound is soluble in DMSO at ≥60 mg/mL. Powder is stable when stored at -20°C for 3 years or at 4°C for 2 years.
Toxicity/Toxicokinetics
Toxicology (toxicology) data for Timosaponin AIII are limited. As a natural saponin, it is generally considered safe at moderate doses. However, its safety profile in the context of therapeutic use requires further evaluation. The compound is for research use only and not for human therapeutic use.
References

[1]. Timosaponin AIII, a saponin isolated from Anemarrhena asphodeloides, ameliorates learning and memory deficits in mice. Pharmacol Biochem Behav. 2009 Aug;93(2):121-7.

[2]. Timosaponin AIII is preferentially cytotoxic to tumor cells through inhibition of mTOR and induction of ER stress. PLoS One. 2009 Sep 30;4(9):e7283.

Additional Infomation
Timosaponin A-III is a triterpenoid compound. It has the function of a metabolite. Timosaponin A-III has been reported in Narthecium asiaticum, Yucca schidigera, and other organisms with available data.
Other information: Timosaponin AIII is a steroidal saponin isolated from Anemarrhena asphodeloides. It has anticancer, anti-inflammatory, antithrombotic, and nootropic activities. The compound is also known as Timosaponin A-III and Tim-AIII. Its CAS number is 41059-79-4.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C39H64O13
Molecular Weight
740.9177
Exact Mass
740.434
CAS #
41059-79-4
PubChem CID
15953793
Appearance
White to off-white solid powder
Density
1.4±0.1 g/cm3
Boiling Point
862.8±65.0 °C at 760 mmHg
Flash Point
475.6±34.3 °C
Vapour Pressure
0.0±0.6 mmHg at 25°C
Index of Refraction
1.606
LogP
3.94
Hydrogen Bond Donor Count
7
Hydrogen Bond Acceptor Count
13
Rotatable Bond Count
6
Heavy Atom Count
52
Complexity
1270
Defined Atom Stereocenter Count
22
SMILES
C[C@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@H]6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)C)C)OC1
InChi Key
MMTWXUQMLQGAPC-YXOKLLKRSA-N
InChi Code
InChI=1S/C39H64O13/c1-18-7-12-39(47-17-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-36-34(32(45)30(43)27(16-41)50-36)51-35-33(46)31(44)29(42)26(15-40)49-35/h18-36,40-46H,5-17H2,1-4H3/t18-,19-,20+,21-,22+,23-,24-,25-,26+,27+,28-,29+,30-,31-,32-,33+,34+,35-,36+,37-,38-,39+/m0/s1
Chemical Name
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,16S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
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 : ~125 mg/mL (~168.71 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.08 mg/mL (2.81 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 20.8 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.

Solubility in Formulation 2: ≥ 2.08 mg/mL (2.81 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 20.8 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 1.3497 mL 6.7484 mL 13.4967 mL
5 mM 0.2699 mL 1.3497 mL 2.6993 mL
10 mM 0.1350 mL 0.6748 mL 1.3497 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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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)
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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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