| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
| Targets |
Acid ceramidase
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|---|---|
| ln Vitro |
Acid Ceramidase-IN-2 (compound 1) is an acid ceramidase inhibitor with potentially antiproliferative and cytostatic activities. The hydrolysis of Acid Ceramidase-IN-2 can be inhibited in vitro by three alpha-ketoamides: GT85, GT98, and GT99. Human acid ceramidase is overexpressed in prostate cancer cells, indicating potential anti-tumor effects of this inhibitor. No specific IC50 values are publicly available.
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| ln Vivo |
No specific in vivo data for Acid Ceramidase-IN-2. As an acid ceramidase inhibitor with anti-proliferative activity, it has potential for in vivo efficacy in prostate cancer xenograft models or other tumor models. In vivo studies would involve administration to tumor-bearing mice to assess tumor growth inhibition, survival, and modulation of ceramide/sphingosine-1-phosphate levels in tissues. It is not yet known whether the compound is orally bioavailable.
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| Enzyme Assay |
Recombinant human acid ceramidase is expressed in insect cells or mammalian cells and purified. The enzyme activity assay uses a fluorogenic substrate, such as Rbm-14 (rhodamine B-labeled C12-ceramide) or a radiolabeled substrate ([14C]-palmitoyl-ceramide). The reaction is incubated at 37degC for 1-2 hours in an appropriate buffer (e.g., citrate-phosphate buffer, pH 4.5-5.0). The product (free fatty acid or sphingosine) is separated by organic extraction and quantified by fluorescence or radiometric detection. IC50 values are determined from dose-response curves. The inhibitory effects of GT85, GT98, and GT99 on the hydrolysis of Acid Ceramidase-IN-2 can also be assessed.
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| Cell Assay |
Human prostate cancer cell lines (e.g., PC-3, LNCaP, DU145) and other cancer cell lines are cultured in RPMI-1640 or DMEM with 10% FBS and antibiotics. Cells are treated with Acid Ceramidase-IN-2 (0.01-100 uM) for 24-72 hours. Cell proliferation is assessed by MTT, CCK-8, or CellTiter-Glo assays. Cytostatic activity is assessed by colony formation assays. Acid ceramidase activity in cell lysates is measured using a fluorogenic substrate as described above. Ceramide, sphingosine, and sphingosine-1-phosphate (S1P) levels are quantified by LC-MS/MS. Apoptosis is assessed by Annexin V/PI staining, caspase-3/7 activity, and PARP cleavage. Cell cycle analysis is performed by PI staining and flow cytometry.
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| Animal Protocol |
No published in vivo animal study for this compound. Based on its potential anti-tumor activity, typical protocols would involve establishing subcutaneous tumor xenografts of prostate cancer cells (e.g., PC-3 or LNCaP) in immunodeficient mice (nude mice or NSG mice). When tumors reach a certain volume, mice would be randomized and treated with Acid Ceramidase-IN-2 formulated in a suitable vehicle (e.g., 10% DMSO, 40% PEG300, 5% Tween 80, 45% saline, or other solubilizers). Dosing would be once daily by intraperitoneal injection or oral gavage at doses ranging from 1-100 mg/kg for 2-4 weeks. Endpoints include tumor volume, tumor weight, body weight, survival, and plasma/tissue ceramide levels.
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| ADME/Pharmacokinetics |
No specific pharmacokinetic data for Acid Ceramidase-IN-2. As a small molecule inhibitor (molecular weight 517.70, C30H47NO6), it is likely to have absorption properties suitable for in vivo studies. Physicochemical properties (logP, pKa, solubility) can be estimated from its structure. Solubility: white to off-white solid powder, soluble in DMSO. No PK parameters (half-life, Cmax, AUC, clearance, bioavailability) are publicly available. Formulation for in vivo studies would need to be developed empirically.
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| Toxicity/Toxicokinetics |
No specific toxicity data for Acid Ceramidase-IN-2. As an acid ceramidase inhibitor, it may influence sphingolipid homeostasis, which is involved in cell survival, apoptosis, and inflammation. Potential toxicities could include off-target effects on ceramide metabolism in normal tissues. No genotoxicity or cardiotoxicity data are publicly available. The compound is for research use only and is not approved for human use.
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| References | |
| Additional Infomation |
Acid Ceramidase-IN-2 (compound 1) is a research tool for studying acid ceramidase inhibition, sphingolipid metabolism, and cancer, particularly prostate cancer. Acid ceramidase is overexpressed in prostate cancer cells and is associated with chemoresistance. This compound has potentially antiproliferative and cytostatic activities. It is not approved for clinical use. The molecular formula is C30H47NO6, and molecular weight is 517.70. Purity: ≥98%. Appearance: white to off-white solid powder. Storage: store long-term in a cool, dry place. The compound is also known as an acid ceramidase inhibitor with potential anti-tumor effects.
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| Molecular Formula |
C30H47NO6
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|---|---|
| Molecular Weight |
517.70
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| Exact Mass |
517.34
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| CAS # |
1005497-03-9
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| PubChem CID |
46232378
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| Appearance |
White to off-white solid powder
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| Density |
1.094±0.06 g/cm3(Predicted)
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| Boiling Point |
727.3±60.0 °C(Predicted)
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| LogP |
7.6
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
21
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| Heavy Atom Count |
37
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| Complexity |
654
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| Defined Atom Stereocenter Count |
2
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| SMILES |
CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](CCOC1=CC2=C(C=C1)C=CC(=O)O2)O
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| InChi Key |
ASWQERQPSVCZCY-RRPNLBNLSA-N
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| InChi Code |
InChI=1S/C30H47NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-29(34)31-26(23-32)27(33)20-21-36-25-18-16-24-17-19-30(35)37-28(24)22-25/h16-19,22,26-27,32-33H,2-15,20-21,23H2,1H3,(H,31,34)/t26-,27+/m0/s1
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| Chemical Name |
N-[(2S,3R)-1,3-dihydroxy-5-(2-oxochromen-7-yl)oxypentan-2-yl]hexadecanamide
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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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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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 | 1.9316 mL | 9.6581 mL | 19.3162 mL | |
| 5 mM | 0.3863 mL | 1.9316 mL | 3.8632 mL | |
| 10 mM | 0.1932 mL | 0.9658 mL | 1.9316 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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