RIP2 Kinase Inhibitor 3 is a potent and specific receptor-interacting protein-2 (RIP2) kinase inhibitor (antagonist) with IC50 of 1 nM.

Physicochemical Properties

Molecular Formula	C19H24N4O3S
Molecular Weight	388.48
Exact Mass	388.156
CAS #	1398053-50-3
PubChem CID	60194465
Appearance	Light yellow to yellow solid powder
LogP	3.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	27
Complexity	615
Defined Atom Stereocenter Count	0
SMILES	N(C1=CC=NC2=C1C=C(C(OC)=C2)S(=O)(=O)C(C)(C)C)C1C(C)=C(C)NN=1
InChi Key	LHPFRDAGGDMRMZ-UHFFFAOYSA-N
InChi Code	InChI=1S/C19H24N4O3S/c1-11-12(2)22-23-18(11)21-14-7-8-20-15-10-16(26-6)17(9-13(14)15)27(24,25)19(3,4)5/h7-10H,1-6H3,(H2,20,21,22,23)
Chemical Name	6-tert-butylsulfonyl-N-(4,5-dimethyl-1H-pyrazol-3-yl)-7-methoxyquinolin-4-amine
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 (e.g. under nitrogen), avoid exposure to moisture and light.
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]. Identification of Quinoline-Based RIP2 Kinase Inhibitors with an Improved Therapeutic Index to the hERG Ion Channel. ACS Med Chem Lett. 2018 Sep 26;9(10):1039-1044.

Solubility Data

Solubility (In Vitro)

DMSO : ~25 mg/mL (~64.35 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (6.44 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 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.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.5741 mL	12.8707 mL	25.7414 mL
	5 mM	0.5148 mL	2.5741 mL	5.1483 mL
	10 mM	0.2574 mL	1.2871 mL	2.5741 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.