EB-42486 is a novel, potent and selective G2019S-LRRK2 inhibitor (IC50 < 0.2 nM).

Physicochemical Properties

Molecular Formula	C22H22N8O
Molecular Weight	414.46
Exact Mass	414.191
CAS #	2390475-81-5
PubChem CID	155925851
Appearance	Off-white to light yellow solid powder
LogP	2.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	31
Complexity	733
Defined Atom Stereocenter Count	0
SMILES	C12=NN=NN1C(C)(C)C(C(NC1C=CC3=C(C=1)C(C1=CC=CC=C1)=NN3)=O)=C(C)N2C
InChi Key	KHSAHYKLUPESPP-UHFFFAOYSA-N
InChi Code	InChI=1S/C22H22N8O/c1-13-18(22(2,3)30-21(29(13)4)26-27-28-30)20(31)23-15-10-11-17-16(12-15)19(25-24-17)14-8-6-5-7-9-14/h5-12H,1-4H3,(H,23,31)(H,24,25)
Chemical Name	4,5,7,7-tetramethyl-N-(3-phenyl-1H-indazol-5-yl)tetrazolo[1,5-a]pyrimidine-6-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

References

[1]. Selective Inhibitors of G2019S-LRRK2 Kinase Activity. J Med Chem. 2020 Dec 10;63(23):14821-14839.

Solubility Data

Solubility (In Vitro)

DMSO : 125 mg/mL (301.60 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (5.02 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 (5.02 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 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. Solubility in Formulation 3: ≥ 2.08 mg/mL (5.02 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 20.8 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	2.4128 mL	12.0639 mL	24.1278 mL
	5 mM	0.4826 mL	2.4128 mL	4.8256 mL
	10 mM	0.2413 mL	1.2064 mL	2.4128 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.