AR-420626 (AR 420626; AR420626) is a novel and potent allosteric agonist of FFA3 (GPR41) receptor (pEC50 value of 5.74) with the potential for the treatment of neurogenic diarrheal disorders by suppressing nAChR-mediated neural pathways.

Physicochemical Properties

Molecular Formula	C21H18CL2N2O3
Molecular Weight	417.285223484039
Exact Mass	416.069
Elemental Analysis	C, 60.45; H, 4.35; Cl, 16.99; N, 6.71; O, 11.50
CAS #	1798310-55-0
PubChem CID	91885415
Appearance	Off-white to light yellow solid powder
Density	1.4±0.1 g/cm3
Boiling Point	619.3±55.0 °C at 760 mmHg
Flash Point	328.3±31.5 °C
Vapour Pressure	0.0±1.8 mmHg at 25°C
Index of Refraction	1.653
LogP	3.71
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	28
Complexity	733
Defined Atom Stereocenter Count	0
SMILES	ClC1C=CC(=CC=1NC(C1=C(C)NC2CCCC(C=2C1C1=CC=CO1)=O)=O)Cl
InChi Key	GGTYQECCGLBHGS-UHFFFAOYSA-N
InChi Code	InChI=1S/C21H18Cl2N2O3/c1-11-18(21(27)25-15-10-12(22)7-8-13(15)23)20(17-6-3-9-28-17)19-14(24-11)4-2-5-16(19)26/h3,6-10,20,24H,2,4-5H2,1H3,(H,25,27)
Chemical Name	N-(2,5-dichlorophenyl)-4-(furan-2-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
Synonyms	AR 420626; AR-420626; AR420626
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]. Free fatty acid receptor 3 activation suppresses neurogenic motility in rat proximal colon. Neurogastroenterol Motil. 2018 Jan;30(1):10.1111/nmo.13157.

Solubility Data

Solubility (In Vitro)

DMSO: ~20 mg/mL (~47.9 mM)

Solubility (In Vivo)

Solubility in Formulation 1: 2 mg/mL (4.79 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 sonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.0 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 2: ≥ 2 mg/mL (4.79 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 20.0 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	2.3964 mL	11.9821 mL	23.9641 mL
	5 mM	0.4793 mL	2.3964 mL	4.7928 mL
	10 mM	0.2396 mL	1.1982 mL	2.3964 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.