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| Targets |
The primary target of Acid Ceramidase-IN-1 is acid ceramidase (AC, also known as ASAH-1), a lysosomal enzyme that hydrolyzes ceramide to sphingosine and free fatty acid. The compound inhibits human acid ceramidase (hAC) with an IC50 of 0.166 μM. By inhibiting acid ceramidase, the compound increases cellular ceramide levels, which can induce apoptosis and modulate sphingolipid signaling pathways. The compound's excellent brain penetration makes it particularly useful for studying neurological disorders.
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| ln Vitro |
In vitro, Acid Ceramidase-IN-1 inhibits human acid ceramidase (hAC) with an IC50 of 0.166 μM. The compound is a potent inhibitor with high specificity for acid ceramidase. The compound is supplied as a high-purity solid (≥99%) and is used in research to study sphingolipid metabolism and ceramidase-related pathways. In vitro assays demonstrate the compound's ability to increase ceramide levels in cells.
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| ln Vivo |
In vivo, Acid Ceramidase-IN-1 exhibits excellent brain penetration in mice, making it a valuable tool for studying neurological disorders. The compound is orally bioavailable and can be administered via oral gavage. Acid Ceramidase-IN-1 can be used in the study of neurological disorders and metabolic diseases involving sphingolipid metabolism.
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| Enzyme Assay |
The in vitro enzyme assay for Acid Ceramidase-IN-1 involves measuring the inhibition of acid ceramidase activity using recombinant human acid ceramidase (hAC). The assay is performed in a suitable buffer system containing ceramide substrate. Test compounds are incubated with the enzyme at various concentrations, and the production of sphingosine is measured using radiometric, chromatographic, or fluorometric methods. IC50 values are calculated by fitting dose-response curves to the inhibition data.
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| Cell Assay |
Cellular assays for Acid Ceramidase-IN-1 typically use cell lines that express acid ceramidase, such as cancer cell lines or neuronal cells. Cells are treated with the compound at various concentrations, and cellular ceramide levels are measured using mass spectrometry or enzymatic assays. Cell viability, apoptosis, and sphingolipid profiles are assessed to evaluate the functional consequences of acid ceramidase inhibition.
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| Animal Protocol |
In vivo animal studies for Acid Ceramidase-IN-1 typically involve oral administration of the compound to rodent models of neurological disorders or metabolic diseases. Following treatment, brain tissue and blood samples are collected to assess ceramide levels, drug penetration, and disease-related endpoints. The compound's excellent brain penetration in mice makes it particularly suitable for central nervous system studies.
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| ADME/Pharmacokinetics |
Acid Ceramidase-IN-1 is orally bioavailable and exhibits excellent brain penetration in mice. The compound has a molecular weight of 331.41 and a molecular formula of C18H25N3O3. For research purposes, the compound is typically formulated in suitable vehicles for oral administration. Detailed PK parameters such as half-life and tissue distribution are not fully available in the public domain.
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| Toxicity/Toxicokinetics |
There is no specific toxicity data reported for Acid Ceramidase-IN-1 in the available literature. As a research chemical, the compound is intended for laboratory use only and should be handled with standard safety precautions. Toxicity studies would be required if the compound were to be developed further for therapeutic applications. The compound is supplied with a purity of ≥99%.
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| References | |
| Additional Infomation |
Acid Ceramidase-IN-1 is a potent, orally bioavailable inhibitor of acid ceramidase (AC, ASAH-1) with an IC50 of 0.166 μM. The compound exhibits excellent brain penetration in mice. Acid Ceramidase-IN-1 has a molecular formula of C18H25N3O3 and a molecular weight of 331.41. It is supplied as a high-purity solid (≥99%) and can be used in the study of neurological disorders and metabolic diseases.
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| Molecular Formula |
C18H25N3O3
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| Molecular Weight |
331.41
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| Exact Mass |
331.189
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| CAS # |
2415225-30-6
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| PubChem CID |
155522468
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| Appearance |
White to yellow solid powder
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| LogP |
3.4
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
24
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| Complexity |
474
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C(=O)(NCC(C)C)N1C(=O)OC2=C1C=CC(C1CCN(C)CC1)=C2
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| InChi Key |
AYXQGWOLRJUITD-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C18H25N3O3/c1-12(2)11-19-17(22)21-15-5-4-14(10-16(15)24-18(21)23)13-6-8-20(3)9-7-13/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,19,22)
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| Chemical Name |
6-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)-2-oxo-1,3-benzoxazole-3-carboxamide
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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: 50 mg/mL (150.87 mM)
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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 | 3.0174 mL | 15.0871 mL | 30.1741 mL | |
| 5 mM | 0.6035 mL | 3.0174 mL | 6.0348 mL | |
| 10 mM | 0.3017 mL | 1.5087 mL | 3.0174 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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