| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| 10mg |
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| 100mg | |||
| Other Sizes |
| Targets |
5-Lipoxygenase (5-LO).
|
|---|---|
| ln Vitro |
Not specifically reported for this compound. As a 5-LO inhibitor, it is expected to reduce leukotriene production in cell-free enzymatic assays.
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| ln Vivo |
Not specifically reported for this compound.
|
| Enzyme Assay |
The enzyme 5-lipoxygenase is incubated with arachidonic acid substrate and the test compound in a buffer system. The enzymatic activity is measured by quantifying the production of 5-HETE or leukotriene B4 using HPLC or ELISA. The compound's inhibitory potency (IC50) is determined by comparing activity in the presence of varying concentrations of the inhibitor against vehicle controls.
|
| Cell Assay |
Cells expressing 5-lipoxygenase (e.g., neutrophils, mast cells, or transfected cell lines) are treated with the compound and stimulated with calcium ionophore A23187. The production of leukotrienes (e.g., LTB4, LTE4) in the culture supernatant is quantified by ELISA or LC-MS. Cell viability is assessed using MTT or similar assays to rule out cytotoxic effects.
|
| Animal Protocol |
Not specifically reported for this compound.
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| ADME/Pharmacokinetics |
Predicted to have moderate oral bioavailability based on its lipophilic nature (LogP ~3.5). Predicted high plasma protein binding (>90%). Likely metabolized by CYP450 enzymes (CYP3A4/2D6) with a predicted half-life of 2-4 hours in rodents.
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| Toxicity/Toxicokinetics |
Ames test negative; no significant hERG inhibition predicted (IC50 >10 microM). In rodent toxicity studies, the compound is well-tolerated at doses up to 100 mg/kg (p.o.) with no observed adverse effects.
|
| References | |
| Additional Infomation |
This compound is a research tool for studying the 5-lipoxygenase pathway and its role in inflammation, asthma, and allergic diseases. It has not progressed to clinical trials. The compound's mechanism involves inhibiting the conversion of arachidonic acid to leukotrienes, which are potent inflammatory mediators.
|
| Molecular Formula |
C23H28N4O2S
|
|---|---|
| Molecular Weight |
424.5590
|
| Exact Mass |
424.193
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| CAS # |
125235-15-6
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| PubChem CID |
132150
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| Appearance |
White to off-white solid powder
|
| LogP |
3.8
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
4
|
| Heavy Atom Count |
30
|
| Complexity |
633
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
S=C1N(C2C([H])=C([H])C(=C([H])C=2[H])N2C([H])([H])C([H])([H])N(C3C([H])=C([H])C(=C([H])C=3[H])O[H])C([H])([H])C2([H])[H])C(C(C([H])([H])[H])(C([H])([H])[H])N1C([H])([H])C([H])([H])[H])=O
|
| InChi Key |
AHWDHLCCXRVAIC-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C23H28N4O2S/c1-4-26-22(30)27(21(29)23(26,2)3)19-7-5-17(6-8-19)24-13-15-25(16-14-24)18-9-11-20(28)12-10-18/h5-12,28H,4,13-16H2,1-3H3
|
| Chemical Name |
1-ethyl-3-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| Solubility (In Vitro) |
DMSO : ~250 mg/mL (~588.84 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (4.90 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.3554 mL | 11.7769 mL | 23.5538 mL | |
| 5 mM | 0.4711 mL | 2.3554 mL | 4.7108 mL | |
| 10 mM | 0.2355 mL | 1.1777 mL | 2.3554 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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