GPR40/FFAR1 modulator 1 is an agonist and allosteric modulator of Gq-coupled free fatty acid receptor 1 (GPR40/FFAR1).

Physicochemical Properties

Molecular Formula	C21H19N5O3
Molecular Weight	389.407263994217
Exact Mass	389.15
Elemental Analysis	C, 64.77; H, 4.92; N, 17.98; O, 12.33
CAS #	874755-26-7
PubChem CID	8852666
Appearance	Off-white to light yellow solid powder
LogP	3.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Heavy Atom Count	29
Complexity	615
Defined Atom Stereocenter Count	0
InChi Key	WCRLDDWRDAIHGO-UHFFFAOYSA-N
InChi Code	InChI=1S/C21H19N5O3/c1-12-5-3-4-6-16(12)23-21-25-18(24-20(22)26-21)11-28-14-7-8-15-13(2)9-19(27)29-17(15)10-14/h3-10H,11H2,1-2H3,(H3,22,23,24,25,26)
Chemical Name	7-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methoxy]-4-methylchromen-2-one
Synonyms	WUN55267; WUN-55267; GPR40/FFAR1 modulator 1; WUN 55267
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: This product requires protection from light (avoid light exposure) during transportation and storage.
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	Gq-coupled free fatty acid receptor 1 (GPR40/FFAR1)
References	[1]. Molecular dynamics-guided discovery of an ago-allosteric modulator for GPR40/FFAR1. Proc Natl Acad Sci U S A. 2019 Apr 2;116(14):7123-7128.

Solubility Data

Solubility (In Vitro)

DMSO: ~31.3 mg/mL (~80.3 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (5.34 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 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.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.5680 mL	12.8399 mL	25.6799 mL
	5 mM	0.5136 mL	2.5680 mL	5.1360 mL
	10 mM	0.2568 mL	1.2840 mL	2.5680 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.