| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
| Targets |
Dual FAAH/sEH-IN-1 targets soluble epoxide hydrolase (sEH) and fatty acid amide hydrolase (FAAH). sEH is involved in the metabolism of epoxy fatty acids, while FAAH degrades endocannabinoids such as anandamide. By inhibiting both enzymes, the compound modulates inflammatory and pain signaling pathways.
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|---|---|
| ln Vitro |
In vitro, Dual FAAH/sEH-IN-1 is a high-affinity dual inhibitor of sEH and FAAH with IC₅₀ values of 9.6 nM and 7 nM, respectively. It shows anti-inflammatory activity and antinociception against the inflammatory phase.
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| ln Vivo |
In vivo, Dual FAAH/sEH-IN-1 shows antinociception against the inflammatory phase. It has anti-inflammatory activity. The compound may have potential for research in pain and inflammatory conditions. Detailed in vivo data regarding dosage and administration routes are limited.
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| Enzyme Assay |
Dual FAAH/sEH-IN-1's enzyme inhibition activity can be characterized using biochemical assays with purified sEH and FAAH enzymes. The compound inhibits sEH with an IC₅₀ of 9.6 nM and FAAH with an IC₅₀ of 7 nM. Inhibition kinetics and selectivity can be assessed.
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| Cell Assay |
In vitro cell experiments with Dual FAAH/sEH-IN-1 involve treating cells with the compound and assessing its effects on sEH and FAAH activity. The compound's effects on inflammatory mediators and endocannabinoid levels can be measured.
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| Animal Protocol |
In vivo animal studies with Dual FAAH/sEH-IN-1 have been conducted to evaluate its antinociceptive and anti-inflammatory effects. The compound is typically administered via oral gavage or injection. Detailed protocols regarding dosage, treatment duration, and specific animal models are not extensively reported.
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| ADME/Pharmacokinetics |
Pharmacokinetic data specific to Dual FAAH/sEH-IN-1 are limited in the available literature. As a small molecule, the compound is expected to have reasonable bioavailability. The compound is stored as powder at -20°C for 3 years or in solvent at -80°C for 1 year.
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| Toxicity/Toxicokinetics |
Dual FAAH/sEH-IN-1 is considered safe for research use at typical concentrations. As a research compound, it is intended for laboratory use only and not for human consumption. The compound should be handled under standard laboratory safety practices with appropriate precautions.
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| References | |
| Additional Infomation |
Dual FAAH/sEH-IN-1 (compound 3) is a high-affinity dual inhibitor of sEH and FAAH with IC₅₀ values of 9.6 and 7 nM, respectively. It shows antinociception against the inflammatory phase and has anti-inflammatory activity. It has a CAS number of 2756099-59-7.
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| Molecular Formula |
C25H22CLN3O3S2
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|---|---|
| Molecular Weight |
512.043482303619
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| Exact Mass |
511.079
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| CAS # |
2756099-59-7
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| PubChem CID |
163408826
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| Appearance |
Typically exists as solid at room temperature
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| LogP |
5.1
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
34
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| Complexity |
807
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1CN(CCC1C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)S(=O)(=O)C5=CC=CC=C5Cl
|
| InChi Key |
NVHVCPVLWHYRRB-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C25H22ClN3O3S2/c26-20-5-1-4-8-23(20)34(31,32)29-15-13-17(14-16-29)24(30)27-19-11-9-18(10-12-19)25-28-21-6-2-3-7-22(21)33-25/h1-12,17H,13-16H2,(H,27,30)
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| Chemical Name |
N-[4-(1,3-benzothiazol-2-yl)phenyl]-1-(2-chlorophenyl)sulfonylpiperidine-4-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) |
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 | 1.9530 mL | 9.7649 mL | 19.5297 mL | |
| 5 mM | 0.3906 mL | 1.9530 mL | 3.9059 mL | |
| 10 mM | 0.1953 mL | 0.9765 mL | 1.9530 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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