| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 100mg | |||
| Other Sizes |
| ln Vitro |
In an in vitro bioassay, Alisol G exhibited significant inhibitory activity against human carboxylesterase 2 (hCE2) with an IC50 value of 3.85 μM. [1]
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|---|---|
| Enzyme Assay |
Human carboxylesterase 2 (hCE2) inhibitory assays were performed in a 96-well plate format at 37°C. The reaction mixture had a total volume of 200 μL using 50 mM Tris-HCl buffer (pH 7.4). Alisol G and its metabolites were dissolved in methanol and added to the reaction mixture to achieve final concentrations ranging from 0.1 to 200.0 μM. The enzyme and the compound were pre-incubated at 37°C for 30 minutes. The enzymatic reaction was then initiated by adding a fluorescent probe substrate (MPN). After an additional 30-minute incubation with shaking, the reactions were terminated by adding an equal volume (200 μL) of acetonitrile. The hydrolytic rate was measured using a microplate reader with excitation at 480 nm and emission at 520 nm. A control experiment without the test compound was used to calculate the IC50 values. [1]
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| References | |
| Additional Infomation |
Alisol G (also known as 25-dehydrated Alisol A) is a major prosterane triterpenoid compound isolated from the dried rhizome of the traditional Chinese medicine Alisma orientalis. This study focuses on the biotransformation of Alisol G by the fungus Penicillium janthinellum AS 3.510, which resulted in four new metabolites. The study aims to discover hCE2 inhibitors by modifying its structure. hCE2 is the main enzyme in intestinal hydrolysis, and intestinal hydrolysis is a key determinant of the pharmacokinetics and pharmacodynamics of ester prodrugs. Therefore, the search for hCE2 inhibitors is of great significance for the development of prodrugs. [1]
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| Molecular Formula |
C30H48O4
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|---|---|
| Molecular Weight |
472.6997
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| Exact Mass |
472.355
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| CAS # |
155521-46-3
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| PubChem CID |
76314443
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| Appearance |
White to off-white solid powder
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
598.4±50.0 °C at 760 mmHg
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| Flash Point |
329.8±26.6 °C
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| Vapour Pressure |
0.0±3.8 mmHg at 25°C
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| Index of Refraction |
1.553
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| Source |
Originated from plants: Alismataceae Alisma plantago-aquatica Linn.
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| LogP |
5.39
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
34
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| Complexity |
902
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| Defined Atom Stereocenter Count |
9
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| SMILES |
C[C@H](C[C@@H]([C@H](C(=C)C)O)O)C1=C2C[C@@H]([C@H]3[C@]4(CCC(=O)C([C@@H]4CC[C@@]3([C@]2(CC1)C)C)(C)C)C)O
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| InChi Key |
WLNDANGOFVYODW-XCXJHVMUSA-N
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| InChi Code |
InChI=1S/C30H48O4/c1-17(2)25(34)21(31)15-18(3)19-9-13-29(7)20(19)16-22(32)26-28(6)12-11-24(33)27(4,5)23(28)10-14-30(26,29)8/h18,21-23,25-26,31-32,34H,1,9-16H2,2-8H3/t18-,21+,22+,23+,25+,26+,28+,29+,30+/m1/s1
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| Chemical Name |
(5R,8S,9S,10S,11S,14R)-17-[(2R,4S,5S)-4,5-dihydroxy-6-methylhept-6-en-2-yl]-11-hydroxy-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one
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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: ≥ 100 mg/mL (~211.6 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.29 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 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 DMSO stock solution (25.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and 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 (5.29 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 DMSO stock solution (25.0 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.1155 mL | 10.5775 mL | 21.1551 mL | |
| 5 mM | 0.4231 mL | 2.1155 mL | 4.2310 mL | |
| 10 mM | 0.2116 mL | 1.0578 mL | 2.1155 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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