PF-05381941 is a potent dual (bifunctional) inhibitor of TAK1/p38α with IC50s of 156 and 186 nM respectively.

Physicochemical Properties

Molecular Formula	C27H26N6O2
Molecular Weight	466.534345149994
Exact Mass	466.211
CAS #	1474022-02-0
PubChem CID	73212018
Appearance	Off-white to brown solid powder
LogP	5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	35
Complexity	755
Defined Atom Stereocenter Count	0
SMILES	C1=C(C=CC(OC2C=CN=CC=2)=C1C)NC(=O)NC1=CC(=NN1C1C=CC=C(C#N)C=1)C(C)(C)C
InChi Key	BVCVUQMOUMAXKQ-UHFFFAOYSA-N
InChi Code	InChI=1S/C27H26N6O2/c1-18-14-20(8-9-23(18)35-22-10-12-29-13-11-22)30-26(34)31-25-16-24(27(2,3)4)32-33(25)21-7-5-6-19(15-21)17-28/h5-16H,1-4H3,(H2,30,31,34)
Chemical Name	1-[5-tert-butyl-2-(3-cyanophenyl)pyrazol-3-yl]-3-(3-methyl-4-pyridin-4-yloxyphenyl)urea
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

ln Vitro	PF-05381941, with an IC50 of 8 nM, suppresses the release of TNF-α from LPS-stimulated human peripheral mononuclear (PMN) cells [1].
References	[1]. TAK1 inhibition in the DFG-out conformation. Chem Biol Drug Des. 2013;82(5):500-505.

Solubility Data

Solubility (In Vitro)

DMSO : ~100 mg/mL (~214.35 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (5.36 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 25.0 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: ≥ 2.5 mg/mL (5.36 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 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. Solubility in Formulation 3: ≥ 1.39 mg/mL (2.98 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 13.9 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	2.1435 mL	10.7174 mL	21.4348 mL
	5 mM	0.4287 mL	2.1435 mL	4.2870 mL
	10 mM	0.2143 mL	1.0717 mL	2.1435 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.