| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| 5mg |
|
||
| 10mg |
|
||
| 100mg |
|
||
| 250mg | |||
| Other Sizes |
| Targets |
Ursolic acid acetate targets multiple biological targets. It inhibits Plasmodium falciparum heat shock protein 90 (PfHsp90) with a KD of 8.16 µM. It inhibits acetylcholinesterase (AChE) and butyrylcholinesterase (BChE). It exhibits cytotoxicity against KB cells with an IC50 of 8.4 µM. It inhibits ADP-, thrombin-, or epinephrine-induced aggregation of isolated rat platelets with IC50 values of <1 µM, 0.8 µM.
|
|---|---|
| ln Vitro |
In vitro, Ursolic acid acetate exhibits cytotoxicity against KB cells with an IC50 of 8.4 µM. It inhibits ADP-, thrombin-, or epinephrine-induced aggregation of isolated rat platelets with IC50 values of <1 µM for ADP-induced and 0.8 µM for thrombin-induced aggregation. It inhibits PfHsp90 with a KD of 8.16 µM. It also inhibits AChE and BChE, suggesting potential as an anti-cholinesterase agent.
|
| ln Vivo |
In vivo activity data for Ursolic acid acetate are limited. Its antimalarial activity has been reported. Its antiplatelet effects in vitro suggest potential cardiovascular protective properties. Further in vivo studies are needed to confirm its therapeutic potential.
|
| Enzyme Assay |
In vitro enzyme inhibition assays for Ursolic acid acetate are conducted using AChE and BChE enzymes. Enzyme activity is measured using Ellman's colorimetric method. The compound is incubated with the enzyme and substrate (acetylthiocholine or butyrylthiocholine) at varying concentrations, and IC50 values are calculated. PfHsp90 binding is measured using surface plasmon resonance (SPR) or isothermal titration calorimetry (ITC).
|
| Cell Assay |
Cellular assays for Ursolic acid acetate are performed using KB human cancer cells. 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 SRB assays. The IC50 for cytotoxicity against KB cells is 8.4 µM.
|
| Animal Protocol |
In vivo animal studies for Ursolic acid acetate would typically utilize rodent models of cancer or malaria. Tumor xenograft models are used to assess antitumor efficacy. For antimalarial activity, Plasmodium-infected mouse models are used. Endpoints include tumor growth, parasitemia, and survival.
|
| ADME/Pharmacokinetics |
Pharmacokinetic properties of Ursolic acid acetate are not well characterized. The compound has a molecular weight of 498.74 and is highly lipophilic. It is expected to have good membrane permeability and oral absorption. Standard PK studies in rodents would be required to determine half-life, bioavailability, and tissue distribution.
|
| Toxicity/Toxicokinetics |
Toxicological data for Ursolic acid acetate are limited. As a natural product-derived triterpenoid, 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 | |
| Additional Infomation |
Acetylursolic acid is a triterpenoid compound. It has been reported to exist in Ligustrum obtusifolium, Perilla frutescens, and other organisms with relevant data.
Ursolic acid acetate (acetylursolic acid) is a triterpenoid with diverse biological activities, including cytotoxicity against KB cells (IC50 = 8.4 µM), inhibition of platelet aggregation (IC50 <1 µM for ADP, 0.8 µM for thrombin), inhibition of PfHsp90 (KD = 8.16 µM), and inhibition of AChE and BChE. It is not clinically approved and is used as a research tool. |
| Molecular Formula |
C32H50O4
|
|---|---|
| Molecular Weight |
498.7370
|
| Exact Mass |
498.37
|
| CAS # |
7372-30-7
|
| PubChem CID |
6475119
|
| Appearance |
White to off-white solid powder
|
| Density |
1.1±0.1 g/cm3
|
| Boiling Point |
597.8±50.0 °C at 760 mmHg
|
| Flash Point |
329.3±26.6 °C
|
| Vapour Pressure |
0.0±3.8 mmHg at 25°C
|
| Index of Refraction |
1.556
|
| LogP |
8.43
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
3
|
| Heavy Atom Count |
36
|
| Complexity |
981
|
| Defined Atom Stereocenter Count |
10
|
| SMILES |
C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC(=O)C)C)C)[C@@H]2[C@H]1C)C)C(=O)O
|
| InChi Key |
PHFUCJXOLZAQNH-OTMOLZNZSA-N
|
| InChi Code |
InChI=1S/C32H50O4/c1-19-11-16-32(27(34)35)18-17-30(7)22(26(32)20(19)2)9-10-24-29(6)14-13-25(36-21(3)33)28(4,5)23(29)12-15-31(24,30)8/h9,19-20,23-26H,10-18H2,1-8H3,(H,34,35)/t19-,20+,23+,24-,25+,26+,29+,30-,31-,32+/m1/s1
|
| Chemical Name |
(1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-acetyloxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
|
| 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 Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
|
| Solubility (In Vitro) |
DMSO : ~25 mg/mL (~50.13 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.25 mg/mL (2.51 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 12.5 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: ≥ 1.25 mg/mL (2.51 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 12.5 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 | 2.0051 mL | 10.0253 mL | 20.0505 mL | |
| 5 mM | 0.4010 mL | 2.0051 mL | 4.0101 mL | |
| 10 mM | 0.2005 mL | 1.0025 mL | 2.0051 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
