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| 5mg |
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| Other Sizes |
| Targets |
ABC47 targets serine hydrolases, specifically alpha/beta-hydrolase domain-containing proteins ABHD4 and ABHD3. These enzymes are involved in lipid metabolism and are implicated in the pathogenesis of infantile neuronal ceroid lipofuscinosis (INCL), a severe neurodegenerative disorder. The compound is an N-hydroxyhydantoin (NHH) carbamate-based irreversible serine hydrolase inhibitor that covalently modifies the active site serine residue. Inhibition of ABHD4 and ABHD3 by ABC47 is a tool to investigate the role of these enzymes in INCL.
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| ln Vitro |
In vitro, ABC47 is a potent inhibitor of serine hydrolases with IC₅0 values of 0.03 microM for ABHD4 and 0.1 microM for ABHD3. The compound has an irreversible mechanism of action, covalently binding to the active site serine of the target enzymes. As an N-hydroxyhydantoin carbamate, it forms a stable carbamate adduct with the catalytic serine, leading to permanent enzyme inactivation. The selectivity for ABHD4/3 over other serine hydrolases has been demonstrated in activity-based protein profiling (ABPP) assays.
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| ln Vivo |
No specific in vivo efficacy data for ABC47 is available. ABC47 plays an important role in the research of infantile neuronal ceroid lipofuscinosis (INCL). As a tool compound, it can be used to validate the therapeutic potential of ABHD4/3 inhibition in animal models of INCL. The compound is for research use only and is not a drug candidate. No in vivo PK or efficacy data has been reported.
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| Enzyme Assay |
The in vitro serine hydrolase inhibition assay is performed using activity-based protein profiling (ABPP). Recombinant human ABHD4 or ABHD3 (0.1-1 ug) is incubated with varying concentrations of ABC47 (0.001-100 uM) in assay buffer (50 mM Tris-HCl pH 7.5, 0.1% Triton X-100) at 37degC for 30 min. A fluorophosphonate (FP)-rhodamine probe (1 uM) is added to label remaining active serine hydrolases. The reaction is incubated for 30 min, then quenched with SDS-PAGE loading buffer. Samples are separated by SDS-PAGE, and the fluorescent signal is quantified. The IC₅0 (0.03 uM for ABHD4, 0.1 uM for ABHD3) is calculated.
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| Cell Assay |
Not applicable. ABC47 is not used in standard cell-based assays for drug discovery. For toxicity screening, HepG2 or HEK293 cells are seeded in 96-well plates (1×10⁴ cells/well) and treated with ABC47 (1-1000 uM) for 24-72 h. Cell viability is measured by MTT assay. The CC₅0 is expected to be >500 uM, indicating low cytotoxicity. The compound is a tool for studying serine hydrolases, not a test agent for pharmacological studies.
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| Animal Protocol |
No in vivo animal protocol for ABC47 exists, as it is not a drug candidate. For toxicology assessment, the compound has been classified as very toxic to aquatic life with long-lasting effects (H410). The safety data sheet (SDS) indicates that it may cause skin and eye irritation. For research use, standard safety precautions should be followed.
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| ADME/Pharmacokinetics |
No PK data for ABC47 is available. It is a research-grade serine hydrolase inhibitor, not a drug candidate. For research use, it is stored as a powder at -20degC for up to 3 years or at 4degC for up to 2 years; in solvent at -80degC for 6 months or -20degC for 1 month. It is soluble in DMSO (~100 mg/mL). The compound is for research use only.
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| Toxicity/Toxicokinetics |
For ABC47, GHS hazard statements: H302 (Harmful if swallowed), H315 (Causes skin irritation), H319 (Causes serious eye irritation), H335 (May cause respiratory irritation), H410 (Very toxic to aquatic life with long lasting effects). Signal word: Warning. Precautionary statements: P261 (Avoid breathing dust/fume/gas/mist/vapors/spray), P273 (Avoid release to the environment), P280 (Wear protective gloves/protective clothing/eye protection/face protection). Storage: powder at -20degC for 3 years, 4degC for 2 years; in solvent at -80degC for 6 months, -20degC for 1 month.
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| References | |
| Additional Infomation |
ABC47 (CAS# 1831135-57-9) is a research-grade, irreversible serine hydrolase inhibitor (IC₅0 = 0.03 uM for ABHD4, 0.1 uM for ABHD3). It is not an FDA-approved drug. It is used as a tool to study the role of ABHD4 and ABHD3 in infantile neuronal ceroid lipofuscinosis (Batten disease) and for activity-based protein profiling (ABPP). For research use only, not for diagnostic or therapeutic applications.
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| Molecular Formula |
C31H32N4O5
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| Molecular Weight |
540.61
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| CAS # |
1831135-57-9
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| Appearance |
Solid powder
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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 (~184.98 mM; with ultrasonication (<60°C))
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.8498 mL | 9.2488 mL | 18.4976 mL | |
| 5 mM | 0.3700 mL | 1.8498 mL | 3.6995 mL | |
| 10 mM | 0.1850 mL | 0.9249 mL | 1.8498 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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