Aurantiamide acetate is a selective and orally bioactive cathepsin inhibitor extracted from Portulaca oleracea L. Aurantiamide acetate exhibits anti-inflammatory effect and may be utilized in the study of inflammation-related diseases.

Physicochemical Properties

Molecular Formula	C27H28N2O4
Molecular Weight	444.52
Exact Mass	444.204
CAS #	56121-42-7
PubChem CID	9832120
Appearance	White to off-white solid powder
Density	1.2±0.1 g/cm3
Boiling Point	716.1±60.0 °C at 760 mmHg
Flash Point	386.9±32.9 °C
Vapour Pressure	0.0±2.3 mmHg at 25°C
Index of Refraction	1.587
LogP	4.58
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	11
Heavy Atom Count	33
Complexity	620
Defined Atom Stereocenter Count	0
InChi Key	VZPAURMDJZOGHU-UHFFFAOYSA-N
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)
Chemical Name	[2-[(2-benzamido-3-phenylpropanoyl)amino]-3-phenylpropyl] acetate
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)

Biological Activity

Targets	cathepsin L
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].
References	[1]. Aurantiamide Acetate, a Selective Cathepsin Inhibitor, Produced by Aspergillus Penicilloides. Biosci Biotechnol Biochem. 2001 May;65(5):1195-7. [2]. Anti-neuroinflammatory Effect of Aurantiamide Acetate From the Marine Fungus Aspergillus Sp. SF-5921: Inhibition of NF-κB and MAPK Pathways in Lipopolysaccharide-Induced Mouse BV2 Microglial Cells.Int Immunopharmacol. 2014 Dec;23(2):568-74.
Additional Infomation	Tifentai has been reported in Stemona japonica and Viola philippica with data available.

Solubility Data

Solubility (In Vitro)

DMSO: 50 mg/mL (112.48 mM)

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.