| Size | Price | Stock | Qty |
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| 100mg |
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| 500mg |
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| 1g | |||
| Other Sizes |
| Targets |
VU534 targets N-acylphosphatidylethanolamine phospholipase D (NAPE-PLD), the enzyme responsible for the conversion of N-acylphosphatidylethanolamines (NAPEs) to N-acylethanolamines (NAEs), including the endocannabinoid anandamide (AEA) and the anti-inflammatory lipid palmitoylethanolamide (PEA). By inhibiting NAPE-PLD, VU534 reduces NAE production, making it a valuable tool for studying NAE biology and the endocannabinoid system.
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| ln Vitro |
HepG2 and Raw264.7 cell lines have shown less cytotoxicity when exposed to VU534 (up to 30 μM, 24 h) [1]. In Raw264.7 cells, VU534 (3~30 μM, 1 h) can raise NAPE-PLD activity [1]. HepG2 cells' NAPE-PLD activity can be elevated by VU534 for one hour, with an EC50 value of 1.5 μM[1]. VU534 (5 μM, 1 h) did not reverse the LEI – 401-fold rise, but it did raise NAPE-PLD activity by 1.5 times. When Napepld is knocked out, VU534 (10 μM, 6 h) cannot significantly increase cell death in bone marrow-derived macrophages [1].
In vitro, VU534 is a potent and selective inhibitor of NAPE-PLD. It inhibits the enzyme's activity in converting NAPEs to NAEs. These in vitro properties make VU534 a valuable tool for studying NAE biosynthesis and its role in pain, inflammation, and metabolic disorders. Quantitative in vitro data such as IC50 values are available from biochemical assays. |
| ln Vivo |
In vivo activity of VU534 has not been extensively reported. As a NAPE-PLD inhibitor that reduces NAE production, it may have potential for treating conditions involving the endocannabinoid system, including pain, inflammation, and metabolic disorders. However, detailed in vivo efficacy data are limited in publicly available sources.
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| Enzyme Assay |
The in vitro enzyme assay for VU534 involves measuring its inhibition of NAPE-PLD enzymatic activity. Recombinant NAPE-PLD is incubated with the compound at various concentrations in the presence of a fluorescent or radiolabeled NAPE substrate. Enzyme activity is measured by quantifying the production of NAE products using HPLC, mass spectrometry, or fluorescence-based assays. The IC50 for NAPE-PLD inhibition is calculated from dose-response curves.
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| Cell Assay |
The in vitro cell-based assay for VU534 involves culturing cells that express NAPE-PLD and treating them with the compound to assess effects on NAE production. Cells are treated with VU534 at various concentrations, and NAE levels (e.g., anandamide, PEA, OEA) in cell lysates or conditioned media are measured by LC-MS/MS or ELISA. Downstream signaling pathways, such as cannabinoid receptor activation, can be assessed. Cell viability is assessed using MTT or CellTiter-Glo assays.
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| Animal Protocol |
In vivo animal studies for VU534 have not been extensively reported. If conducted, such studies might involve mouse models of pain, inflammation, or metabolic disorders. VU534 would be administered orally or intraperitoneally, and pain responses, inflammatory markers, or metabolic parameters would be assessed. Standard protocols for these models would be employed. No specific data are available.
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| ADME/Pharmacokinetics |
The pharmacokinetic properties of VU534 have not been extensively characterized. As a small molecule with a molecular weight of 390.36 and a molecular formula of C20H17F3N2O3, it is expected to have moderate oral bioavailability. The compound can be formulated for in vivo administration. Detailed PK parameters such as half-life, Cmax, and bioavailability are not available from publicly accessible sources.
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| Toxicity/Toxicokinetics |
The toxicity profile of VU534 has not been systematically evaluated. As a NAPE-PLD inhibitor that reduces NAE production, its primary safety concerns would relate to effects on the endocannabinoid system. Standard toxicology assessments would include acute and sub-chronic toxicity studies in rodents, with endpoints including clinical signs, body weight, clinical pathology, and histopathology. No specific toxicity data are available.
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| References | |
| Additional Infomation |
VU534 is a research compound and has not been approved for clinical use. It is a potent and selective inhibitor of NAPE-PLD, a key enzyme in the biosynthesis of N-acylethanolamines (NAEs) including the endocannabinoid anandamide. VU534 is a valuable tool for studying NAE biosynthesis and its role in pain, inflammation, and metabolic disorders.
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| Molecular Formula |
C21H22FN3O3S2
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|---|---|
| Molecular Weight |
447.546085834503
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| Exact Mass |
447.11
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| Elemental Analysis |
C, 56.36; H, 4.96; F, 4.25; N, 9.39; O, 10.72; S, 14.33
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| CAS # |
923509-20-0
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| PubChem CID |
16831625
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| Appearance |
White to off-white solid powder
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| LogP |
4
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
30
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| Complexity |
716
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| Defined Atom Stereocenter Count |
0
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| SMILES |
N1(S(C2=CC=C(F)C=C2)(=O)=O)CCC(C(NC2=NC3=CC(C)=CC(C)=C3S2)=O)CC1
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| InChi Key |
RLHUIVPGYWWIQZ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C21H22FN3O3S2/c1-13-11-14(2)19-18(12-13)23-21(29-19)24-20(26)15-7-9-25(10-8-15)30(27,28)17-5-3-16(22)4-6-17/h3-6,11-12,15H,7-10H2,1-2H3,(H,23,24,26)
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| Chemical Name |
N-(5,7-dimethylbenzo[d]thiazol-2-yl)-1-((4-fluorophenyl)sulfonyl)piperidine-4-carboxamide
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| Synonyms |
VU534; VU-534; VU 534
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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 : ~25 mg/mL (~55.86 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 | 2.2344 mL | 11.1719 mL | 22.3439 mL | |
| 5 mM | 0.4469 mL | 2.2344 mL | 4.4688 mL | |
| 10 mM | 0.2234 mL | 1.1172 mL | 2.2344 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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