| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| Other Sizes |
| Targets |
p38 MAP kinase (p38 MAPK, p38alpha isoform).
|
|---|---|
| ln Vitro |
p38 MAP Kinase Inhibitor III inhibits p38 MAPK with an IC50 of 0.9 uM; it also inhibits the release of pro-inflammatory cytokines IL-1beta and TNF-alpha with IC50 values of 0.37 uM and 0.044 uM, respectively, in cellular assays; it shows selectivity for p38 over other kinases.
|
| ln Vivo |
Not fully detailed; based on its potent inhibition of IL-1beta and TNF-alpha release, p38 MAP Kinase Inhibitor III is expected to show anti-inflammatory activity in animal models of rheumatoid arthritis, inflammatory bowel disease, or endotoxemia; specific in vivo efficacy data are not extensively reported in open sources.
|
| Enzyme Assay |
Enzymatic activity is measured in cell-free kinase assays using recombinant p38 MAPK enzyme, a peptide substrate (e.g., myelin basic protein or ATF-2), and ATP; after incubation with serial dilutions of the inhibitor, phosphorylation of the substrate is measured by radioactivity (if 32P-ATP is used) or by ELISA using anti-phospho-substrate antibodies; IC50 values are calculated.
|
| Cell Assay |
Cytokine release assays: human peripheral blood mononuclear cells (PBMCs) or monocytic cell lines (e.g., THP-1) are stimulated with lipopolysaccharide (LPS) to induce pro-inflammatory cytokine production; cells are pre-treated with p38 MAP Kinase Inhibitor III (0.01-10 uM) prior to LPS stimulation; IL-1beta and TNF-alpha levels in cell culture supernatants are measured by ELISA; IC50 values for cytokine inhibition are calculated.
|
| Animal Protocol |
Mouse models of inflammation (e.g., collagen-induced arthritis, LPS-induced endotoxemia, or carrageenan-induced paw edema) are typically used; p38 MAP Kinase Inhibitor III is administered intraperitoneally or orally; endpoints include paw swelling, cytokine levels in serum (TNF-alpha, IL-1beta, IL-6), and histological assessment of inflammation; no specific published data for this compound are available.
|
| ADME/Pharmacokinetics |
PK properties not fully detailed; as an ATP-competitive small-molecule inhibitor, it is expected to have moderate to good cell permeability and oral bioavailability; however, specific half-life, Cmax, AUC, and clearance values are not available in open sources; further ADME characterization is required.
|
| Toxicity/Toxicokinetics |
Toxicity profile not fully characterized; p38 inhibitors generally have an acceptable safety profile in preclinical studies, but some have shown hepatotoxicity or CNS effects; no formal toxicity studies for this specific compound are available; as an experimental research tool, its safety for human use has not been established.
|
| References | |
| Additional Infomation |
p38 MAP Kinase Inhibitor III is a research-use only compound for studying the p38 MAPK signaling pathway and its role in inflammatory diseases; it is not approved for clinical use; no clinical trials have been registered; it serves as a tool compound for target validation and for investigating the therapeutic potential of p38 inhibition in conditions such as rheumatoid arthritis, inflammatory bowel disease, and neurodegenerative diseases.
|
| Molecular Formula |
C23H21N4FS
|
|---|---|
| Molecular Weight |
404.50304
|
| Exact Mass |
404.147
|
| CAS # |
581098-48-8
|
| PubChem CID |
10938334
|
| Appearance |
White to off-white solid powder
|
| Density |
1.3±0.1 g/cm3
|
| Boiling Point |
589.4±60.0 °C at 760 mmHg
|
| Flash Point |
310.2±32.9 °C
|
| Vapour Pressure |
0.0±1.7 mmHg at 25°C
|
| Index of Refraction |
1.675
|
| LogP |
4.78
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
5
|
| Rotatable Bond Count |
6
|
| Heavy Atom Count |
29
|
| Complexity |
495
|
| Defined Atom Stereocenter Count |
1
|
| SMILES |
C[C@@H](C1=CC=CC=C1)NC2=NC=CC(=C2)C3=C(NC(=N3)SC)C4=CC=C(C=C4)F
|
| InChi Key |
VXPWQNBKEIVYIS-HNNXBMFYSA-N
|
| InChi Code |
InChI=1S/C23H21FN4S/c1-15(16-6-4-3-5-7-16)26-20-14-18(12-13-25-20)22-21(27-23(28-22)29-2)17-8-10-19(24)11-9-17/h3-15H,1-2H3,(H,25,26)(H,27,28)/t15-/m0/s1
|
| Chemical Name |
4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-[(1S)-1-phenylethyl]pyridin-2-amine
|
| 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: ~100 mg/mL (~247.2 mM; with ultrasonication)
DMF: ~20 mg/mL (~49.4 mM; with ultrasonication and warming) |
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 5 mg/mL (12.36 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% Saline (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 DMSO stock solution (50.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 5 mg/mL (12.36 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 DMSO stock solution (50.0 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.4722 mL | 12.3609 mL | 24.7219 mL | |
| 5 mM | 0.4944 mL | 2.4722 mL | 4.9444 mL | |
| 10 mM | 0.2472 mL | 1.2361 mL | 2.4722 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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