| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
IRAK4 (Interleukin-1 Receptor-Associated Kinase 4).
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|---|---|
| ln Vitro |
As an IRAK4-binding ligand, this compound selectively binds to IRAK4, a serine/threonine kinase involved in innate immune signaling, enabling its recruitment for ubiquitination and degradation when incorporated into a PROTAC molecule.
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| ln Vivo |
No specific in vivo activity has been reported for this ligand alone; the complete PROTAC IRAK4 degrader-1 synthesized from this ligand exhibits IRAK4 degradation activity in cellular and potentially in vivo models.
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| Enzyme Assay |
N/A; the binding affinity of this ligand to IRAK4 is typically characterized using biochemical assays such as fluorescence polarization, thermal shift assays, or surface plasmon resonance.
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| Cell Assay |
N/A; this ligand is not tested alone in cell-based assays but is incorporated into complete PROTAC molecules for cellular degradation studies. PROTAC IRAK4 degrader-1 has been reported to degrade IRAK4 in cells.
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| Animal Protocol |
N/A; no animal studies are performed with the ligand alone. In vivo efficacy would be evaluated using the complete PROTAC IRAK4 degrader-1 molecule.
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| ADME/Pharmacokinetics |
The compound has a molecular formula of C29H27F3N6O6 and a molecular weight of 612.56. It is typically stored as a powder at -20degC. Soluble in DMSO at 12.5 mg/mL (20.41 mM).
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| Toxicity/Toxicokinetics |
This product is for research use only and is not intended for human therapeutic or clinical applications. Standard safe handling practices for laboratory chemical reagents should be followed.
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| References | |
| Additional Infomation |
IRAK4 is an emerging target for inflammatory diseases and hematological malignancies. This ligand serves as a valuable building block for developing IRAK4-targeting PROTAC degraders to study the role of IRAK4 in innate immune signaling and disease.
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| Molecular Formula |
C29H27F3N6O6
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|---|---|
| Molecular Weight |
612.56
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| Exact Mass |
612.194
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| CAS # |
2357108-39-3
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| PubChem CID |
138694806
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| Appearance |
White to off-white solid powder
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| LogP |
4.3
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
12
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| Rotatable Bond Count |
10
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| Heavy Atom Count |
44
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| Complexity |
1050
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC(C)(C)OC(=O)N(CC1CC1)C2=NC=CC(=C2)C3=NC(=CO3)C(=O)NC4=CN(N=C4C(F)(F)F)C5=CC=C(C=C5)C(=O)O
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| InChi Key |
OGQQZVUJIJYUID-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C29H27F3N6O6/c1-28(2,3)44-27(42)37(13-16-4-5-16)22-12-18(10-11-33-22)25-35-21(15-43-25)24(39)34-20-14-38(36-23(20)29(30,31)32)19-8-6-17(7-9-19)26(40)41/h6-12,14-16H,4-5,13H2,1-3H3,(H,34,39)(H,40,41)
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| Chemical Name |
4-[4-[[2-[2-[cyclopropylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridin-4-yl]-1,3-oxazole-4-carbonyl]amino]-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid
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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 :~12.5 mg/mL (~20.41 mM )
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: 1.25 mg/mL (2.04 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 12.5 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.6325 mL | 8.1625 mL | 16.3249 mL | |
| 5 mM | 0.3265 mL | 1.6325 mL | 3.2650 mL | |
| 10 mM | 0.1632 mL | 0.8162 mL | 1.6325 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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