GRK5-IN-2 (compound 707) is a pyridine-based bicyclic compound that is a potent inhibitor of G protein-coupled receptor kinase 5 (GRK5). GRK5-IN-2 regulates insulin expression and/or release and may be useful in metabolic disease study.

Physicochemical Properties

Molecular Formula	C20H20N4O4
Molecular Weight	380.397204399109
Exact Mass	380.148
CAS #	1642839-27-7
PubChem CID	71729633
Appearance	Light yellow to brown solid powder
LogP	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Heavy Atom Count	28
Complexity	499
Defined Atom Stereocenter Count	0
SMILES	O1C=CC=C1C1=NC2C=NC(=CC=2N1C)NC1C=C(C(=C(C=1)OC)OC)OC
InChi Key	CRUXKUKVTMZKSO-UHFFFAOYSA-N
InChi Code	InChI=1S/C20H20N4O4/c1-24-14-10-18(21-11-13(14)23-20(24)15-6-5-7-28-15)22-12-8-16(25-2)19(27-4)17(9-12)26-3/h5-11H,1-4H3,(H,21,22)
Chemical Name	2-(furan-2-yl)-1-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-6-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
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	GRK5[1]
References	[1]. Imidazo[4,5-c]pyridine and pyrrolo[3,2-c]pyridine compounds as G-protein-coupled receptor kinase 5 (GRK5) modulators. EP2818472A1.

Solubility Data

Solubility (In Vitro)

DMSO: 62.5 mg/mL (164.30 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (5.47 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 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.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.6288 mL	13.1441 mL	26.2881 mL
	5 mM	0.5258 mL	2.6288 mL	5.2576 mL
	10 mM	0.2629 mL	1.3144 mL	2.6288 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.