| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
cathepsin L
Cathepsin B, Cathepsin L, potentially CTSK and MMP9. |
|---|---|
| ln Vitro |
With an IC50 of 12 μM and 49 μM, respectively, aurantiamide acetate inhibits cathepsin B (3.4.22.1) and cathepsin L (3.4.22.15)[1].
Aurantiamide acetate exhibits potent cathepsin inhibitory activity. It inhibits cathepsin L and cathepsin B with IC50 values of 12 microM and 49 microM, respectively. In vitro, it decreases the viability of U87 and U251 glioma cancer cells at concentrations of 10-100 microM. It also inhibits NO production. |
| ln Vivo |
In vivo, aurantiamide acetate has shown anti-inflammatory activity. In a rat model of adjuvant-induced arthritis, subcutaneous administration at 10 mg/kg effectively inhibited hind paw swelling. In a U87 mouse xenograft model, intratumoral injection of 1 mg slowed tumor growth.
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| Enzyme Assay |
A common enzyme inhibition assay uses fluorogenic substrates like Z-Phe-Arg-AMC for cathepsin L and Z-Arg-Arg-AMC for cathepsin B. The compound is pre-incubated with the enzyme in an activation buffer (e.g., 100 mM sodium acetate, pH 5.5, 5 mM DTT) at 37degC for 5 minutes. Substrate is added, and fluorescence is measured (Ex/Em = 380/460 nm).
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| Cell Assay |
General in vitro cellular protocols use U87 and U251 human glioma cell lines. Cells are cultured in DMEM with 10% FBS and treated with the compound (10, 30, 100 microM) for 24-72 hours. Cell viability is assessed by MTT assay. Apoptosis can be evaluated by Annexin V/PI staining and caspase-3 activation by western blot.
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| Animal Protocol |
A rat model of adjuvant-induced arthritis is used: male rats receive an intradermal injection of Freund's complete adjuvant into the hind paw to induce arthritis. Aurantiamide acetate is administered subcutaneously at 10 mg/kg daily for 20 days. Paw swelling is measured with a plethysmometer, and inflammatory cytokine levels are measured in serum.
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| ADME/Pharmacokinetics |
As an orally active compound, aurantiamide acetate is expected to have good bioavailability. General PK data for similar dipeptides suggests it may be susceptible to rapid hydrolysis by peptidases, though oral activity indicates reasonable stability. No detailed PK parameters are available for this specific compound.
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| Toxicity/Toxicokinetics |
Current research data indicates low toxicity. In a U87 mouse xenograft model, intratumoral injection of 1 mg showed no reported systemic toxicity. No acute oral LD50 or specific toxicology data is available, but it is generally considered safe for research use at the described concentrations.
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| References |
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| Additional Infomation |
Reports indicate that Japanese hyacinth and Philippine violet contain Tifentai, and relevant data is available for reference.
Aurantiamide acetate is a natural product that functions as a cathepsin inhibitor. It has multi-mechanism anti-inflammatory and anti-glioma activities. It serves as a lead compound for drug discovery, particularly for CNS tumors and inflammatory diseases, and is also used as an active marker in Traditional Chinese Medicine. |
| Molecular Formula |
C27H28N2O4
|
|---|---|
| Molecular Weight |
444.52
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| Exact Mass |
444.204
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| CAS # |
56121-42-7
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| PubChem CID |
9832120
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| Appearance |
White to off-white solid powder
|
| Density |
1.2±0.1 g/cm3
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| Boiling Point |
716.1±60.0 °C at 760 mmHg
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| Flash Point |
386.9±32.9 °C
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| Vapour Pressure |
0.0±2.3 mmHg at 25°C
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| Index of Refraction |
1.587
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| LogP |
4.58
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
11
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| Heavy Atom Count |
33
|
| Complexity |
620
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC(=O)OC[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3
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| InChi Key |
VZPAURMDJZOGHU-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C27H28N2O4/c1-20(30)33-19-24(17-21-11-5-2-6-12-21)28-27(32)25(18-22-13-7-3-8-14-22)29-26(31)23-15-9-4-10-16-23/h2-16,24-25H,17-19H2,1H3,(H,28,32)(H,29,31)
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| Chemical Name |
[2-[(2-benzamido-3-phenylpropanoyl)amino]-3-phenylpropyl] acetate
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| HS Tariff Code |
2934.99.9001
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| 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)
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| Solubility (In Vitro) |
DMSO: 50 mg/mL (112.48 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (5.62 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
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 (5.62 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 | 2.2496 mL | 11.2481 mL | 22.4962 mL | |
| 5 mM | 0.4499 mL | 2.2496 mL | 4.4992 mL | |
| 10 mM | 0.2250 mL | 1.1248 mL | 2.2496 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.
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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