IL-17A inhibitor 1 (example 24) is an inhibitor (blocker/antagonist) of IL-17A, with IC50s of <9.45 nM and 9.3 nM in alphalisa assay and HT-29 cells, respectively.

Physicochemical Properties

Molecular Formula	C24H27F5N8O4
Molecular Weight	586.51
Exact Mass	586.207
CAS #	2452464-73-0
PubChem CID	154642729
Appearance	Off-white to yellow solid powder
LogP	1.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	8
Heavy Atom Count	41
Complexity	954
Defined Atom Stereocenter Count	3
SMILES	O1N=C(C)C(C(N[C@@H](C2CCC(F)(F)CC2)C2=CN3C(=N2)C=C([C@H](N2C(=O)N[C@H](C(F)(F)F)C2)COC)C=N3)=O)=N1
InChi Key	MVWVCLAORBNXSD-UWVAXJGDSA-N
InChi Code	InChI=1S/C24H27F5N8O4/c1-12-19(35-41-34-12)21(38)33-20(13-3-5-23(25,26)6-4-13)15-9-37-18(31-15)7-14(8-30-37)16(11-40-2)36-10-17(24(27,28)29)32-22(36)39/h7-9,13,16-17,20H,3-6,10-11H2,1-2H3,(H,32,39)(H,33,38)/t16-,17+,20+/m1/s1
Chemical Name	N-[(S)-(4,4-difluorocyclohexyl)-[7-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
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)

Biological Activity

Targets	IL-17
ln Vivo	The oral bioavailability of IL-17A inhibitor 1 (example 24) is high (F=107%) [1].
References	[1]. IMIDAZO[1,2-B]PYRIDAZINE IL-17A INHIBITORS. Patent WO2020146194.

Solubility Data

Solubility (In Vitro)

DMSO: 250 mg/mL (426.25 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (3.55 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 20.8 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: ≥ 2.08 mg/mL (3.55 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 20.8 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	1.7050 mL	8.5250 mL	17.0500 mL
	5 mM	0.3410 mL	1.7050 mL	3.4100 mL
	10 mM	0.1705 mL	0.8525 mL	1.7050 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.