PROTAC IRAK4 degrader-1 is a Cereblon-based IRAK4 PROTAC. For more details, check and find compound I-210 from the patent US20190192668A1. PROTAC IRAK4 degrader-1 acted on OCI-LY-10 cells at concentrations of 0.01, 0.1 and 1 μM, causing <20%, >20-50% and >50% IRAK4 protein degradation respectively.

Physicochemical Properties

Molecular Formula	C44H39F3N12O7
Molecular Weight	904.85
Exact Mass	904.301
CAS #	2360533-90-8
PubChem CID	138727281
Appearance	White to yellow solid powder
LogP	3.7
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	16
Heavy Atom Count	66
Complexity	1800
Defined Atom Stereocenter Count	0
SMILES	N(C1C=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C=12)CC1N=CN(CCCNC(C2C=CC(N3N=C(C(F)(F)F)C(NC(C4=COC(C5=CC=NC(NCC6CC6)=C5)=N4)=O)=C3)=CC=2)=O)C=1
InChi Key	YXSXFMHKDNIZFS-UHFFFAOYSA-N
InChi Code	InChI=1S/C44H39F3N12O7/c45-44(46,47)37-31(53-39(62)32-22-66-41(54-32)26-13-15-48-34(17-26)51-18-24-5-6-24)21-58(56-37)28-9-7-25(8-10-28)38(61)49-14-2-16-57-20-27(52-23-57)19-50-30-4-1-3-29-36(30)43(65)59(42(29)64)33-11-12-35(60)55-40(33)63/h1,3-4,7-10,13,15,17,20-24,33,50H,2,5-6,11-12,14,16,18-19H2,(H,48,51)(H,49,61)(H,53,62)(H,55,60,63)
Chemical Name	2-[2-(cyclopropylmethylamino)pyridin-4-yl]-N-[1-[4-[3-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]imidazol-1-yl]propylcarbamoyl]phenyl]-3-(trifluoromethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide
Synonyms	PROTAC IRAK4 degrader1; PROTAC IRAK4 degrader 1
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 Note: Please store this product in a sealed and protected environment, avoid exposure to moisture.
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

References

[1]. Irak degraders and uses thereof. US20190192668A1.

Solubility Data

Solubility (In Vitro)

DMSO : ~110 mg/mL (~121.57 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 5.25 mg/mL (5.80 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 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 52.5 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to 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 (5.53 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 ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 50.0 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	1.1052 mL	5.5258 mL	11.0516 mL
	5 mM	0.2210 mL	1.1052 mL	2.2103 mL
	10 mM	0.1105 mL	0.5526 mL	1.1052 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.