p38α inhibitor 2 is a highly efficient and selective p38α MAPK inhibitor (antagonist) with pIC50 of 9.6. p38α inhibitor 2 inhibits the hERG ion channel (IC50=27 μM) and showed good selectivity when tested against 51 other protein kinase groups (<30% inhibition at 10 μM concentration) and 141 other biological target groups.

Physicochemical Properties

Molecular Formula	C27H33N5O3
Molecular Weight	475.5826
Exact Mass	475.258
CAS #	1095003-80-7
PubChem CID	25145735
Appearance	Off-white to light yellow solid powder
LogP	2.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	10
Heavy Atom Count	35
Complexity	822
Defined Atom Stereocenter Count	0
SMILES	O=C(C1C([H])=C([H])C(C([H])([H])[H])=C(C=1[H])N1C([H])=C([H])N=C(C1=O)N([H])C(C([H])([H])[H])(C([H])([H])[H])C1=C([H])C([H])=C([H])C([H])=C1OC([H])([H])C([H])([H])N([H])C([H])([H])[H])N([H])C1([H])C([H])([H])C1([H])[H]
InChi Key	SAZVRXTVWZAHBI-UHFFFAOYSA-N
InChi Code	InChI=1S/C27H33N5O3/c1-18-9-10-19(25(33)30-20-11-12-20)17-22(18)32-15-13-29-24(26(32)34)31-27(2,3)21-7-5-6-8-23(21)35-16-14-28-4/h5-10,13,15,17,20,28H,11-12,14,16H2,1-4H3,(H,29,31)(H,30,33)
Chemical Name	N-cyclopropyl-4-methyl-3-[3-[2-[2-[2-(methylamino)ethoxy]phenyl]propan-2-ylamino]-2-oxopyrazin-1-yl]benzamide
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	p38α MAPK 9.6 (pIC50)
References	[1]. The discovery and evaluation of 3-amino-2(1H)-pyrazinones as a novel series of selective p38α MAP kinase inhibitors [published online ahead of print, 2020 Jul 15]. Bioorg Med Chem Lett. 2020;30(18):127412.

Solubility Data

Solubility (In Vitro)

DMSO: 250 mg/mL (525.67 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 6.25 mg/mL (13.14 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 62.5 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: 6.25 mg/mL (13.14 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 62.5 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. Solubility in Formulation 3: ≥ 6.25 mg/mL (13.14 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 62.5 mg/mL clear DMSO stock solution to 900 μL 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	2.1027 mL	10.5135 mL	21.0270 mL
	5 mM	0.4205 mL	2.1027 mL	4.2054 mL
	10 mM	0.2103 mL	1.0513 mL	2.1027 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.