| Size | Price | Stock | Qty |
|---|---|---|---|
| 10mg |
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| 25mg |
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| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
AA38-3 targets three serine hydrolases: ABHD6, ABHD11, and FAAH. ABHD6 and ABHD11 are involved in lipid metabolism, while FAAH is the primary enzyme responsible for degrading the endocannabinoid anandamide. By inhibiting these enzymes, AA38-3 modulates lipid signaling pathways.
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|---|---|
| ln Vitro |
In cell-free enzyme assays, AA38-3 demonstrates potent inhibition of ABHD6, ABHD11, and FAAH. The compound shows selectivity for these three targets over other serine hydrolases. Enzyme inhibition is confirmed using activity-based protein profiling (ABPP) or fluorogenic substrate assays. The compound's restricted target profile makes it valuable for studying the specific roles of these enzymes. Cellular studies demonstrate that AA38-3 effectively inhibits ABHD6, ABHD11, and FAAH activity in intact cells. By targeting SHP2, AA38-3 blocks downstream oncogenic signaling involved in cell proliferation and survival. The compound has been used in preclinical studies to explore anticancer strategies, as well as in lipid metabolism and neuroprotection research.
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| ln Vivo |
In vivo studies on AA38-3 have focused on its anticancer potential. By targeting SHP2, the compound blocks downstream oncogenic signaling involved in cell proliferation and survival, particularly in cancers driven by receptor tyrosine kinases or RAS mutations. AA38-3 is used in preclinical studies to explore novel anticancer strategies. The compound also shows promise in neuroprotection research.
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| Enzyme Assay |
Serine hydrolase inhibition assays for AA38-3 are performed using recombinant enzymes or tissue lysates. Activity-based protein profiling (ABPP) using fluorescent or biotinylated probes is employed to assess target engagement. Fluorogenic substrate assays measure enzyme activity in the presence of varying concentrations of AA38-3. IC50 values are determined for each target enzyme.
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| Cell Assay |
Cellular assays for AA38-3 are conducted using cultured cancer cell lines or primary neurons. Cells are treated with AA38-3, and target enzyme activity is measured using ABPP or substrate hydrolysis assays. Cell proliferation, apoptosis, and signaling pathway activation are assessed to evaluate the compound's effects on oncogenic signaling or neuroprotection.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of AA38-3 have not been extensively reported. As a small-molecule serine hydrolase inhibitor, it is expected to have reasonable cell permeability. Detailed PK parameters including oral bioavailability, half-life, and tissue distribution require further characterization.
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| Toxicity/Toxicokinetics |
Preclinical toxicity data for AA38-3 are limited. The compound's restricted target profile suggests it may have fewer off-target effects compared to broad-spectrum serine hydrolase inhibitors. Toxicity studies would be required for therapeutic development. In preclinical studies, the compound is used at concentrations that effectively inhibit target enzymes without apparent cytotoxicity.
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| References | |
| Additional Infomation |
AA38-3 is a research compound with applications in lipid metabolism, neuroprotection, and oncology. Its restricted target profile makes it a valuable tool for studying the specific functions of ABHD6, ABHD11, and FAAH. The compound is used in preclinical studies to explore therapeutic strategies for cancer and neurological disorders. It is not approved for clinical use.
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| Molecular Formula |
C12H14N2O4
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|---|---|
| Molecular Weight |
250.25
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| Exact Mass |
250.095
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| CAS # |
65815-76-1
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| PubChem CID |
726751
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| Appearance |
White to light yellow solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
397.5±34.0 °C at 760 mmHg
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| Flash Point |
194.2±25.7 °C
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| Vapour Pressure |
0.0±0.9 mmHg at 25°C
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| Index of Refraction |
1.579
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| LogP |
3.21
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
18
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| Complexity |
302
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1CCN(CC1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]
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| InChi Key |
DHSYPQIMNAYLCG-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C12H14N2O4/c15-12(13-8-2-1-3-9-13)18-11-6-4-10(5-7-11)14(16)17/h4-7H,1-3,8-9H2
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| Chemical Name |
(4-nitrophenyl) piperidine-1-carboxylate
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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 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)
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| Solubility (In Vitro) |
DMSO: 50 mg/mL (199.80 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (9.99 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 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 (9.99 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 25.0 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (9.99 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.9960 mL | 19.9800 mL | 39.9600 mL | |
| 5 mM | 0.7992 mL | 3.9960 mL | 7.9920 mL | |
| 10 mM | 0.3996 mL | 1.9980 mL | 3.9960 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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