p38-α MAPK-IN-1 is an inhibitor (blocker/antagonist) of MAPK14 (p38-α) with IC50s of 2300 nM and 5500 nM in EFC and HTRF experiments, respectively.

Physicochemical Properties

Molecular Formula	C27H35N5O3
Molecular Weight	477.598506212235
Exact Mass	477.273
CAS #	443913-15-3
PubChem CID	10972838
Appearance	White to off-white solid powder
LogP	4.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Heavy Atom Count	35
Complexity	650
Defined Atom Stereocenter Count	0
SMILES	O1CCN(CCOC2C=CC(=CC=2)NC(NC2=CC(C(C)(C)C)=NN2C2C=CC(C)=CC=2)=O)CC1
InChi Key	FRZNJFWQVYAVCE-UHFFFAOYSA-N
InChi Code	InChI=1S/C27H35N5O3/c1-20-5-9-22(10-6-20)32-25(19-24(30-32)27(2,3)4)29-26(33)28-21-7-11-23(12-8-21)35-18-15-31-13-16-34-17-14-31/h5-12,19H,13-18H2,1-4H3,(H2,28,29,33)
Chemical Name	1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]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	MAPK14 (p38-α)> is inhibited by p38-α MAPK-IN-1 (Compound 12), which has an IC50 of 2300 nM in the EFC displacement experiment and 5500 nM in the HTRF assay [1].
References	[1]. Displacement assay for the detection of stabilizers of inactive kinase conformations. J Med Chem. 2010 Jan 14;53(1):357-67.

Solubility Data

Solubility (In Vitro)

DMSO : ~100 mg/mL (~209.38 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (5.23 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 (5.23 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.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.0938 mL	10.4690 mL	20.9380 mL
	5 mM	0.4188 mL	2.0938 mL	4.1876 mL
	10 mM	0.2094 mL	1.0469 mL	2.0938 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.