EEDi-5273 is a potent and orally bioavailable EED inhibitor (IC50 = 0.2 nM) that achieves complete and sustained tumor regression.

Physicochemical Properties

Molecular Formula	C26H22F4N6O2
Molecular Weight	526.49
Exact Mass	526.174
CAS #	2585648-55-9
PubChem CID	155580034
Appearance	Light yellow to yellow solid powder
LogP	4.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	4
Heavy Atom Count	38
Complexity	879
Defined Atom Stereocenter Count	0
SMILES	FC1C=CC2=C(CCO2)C=1CNC1=NC=C2C3=CN=C(C(F)(F)F)C=C3CN(C(C3=C2N1C=N3)=O)C(C)C
InChi Key	OAYMRNSLBKYMKG-UHFFFAOYSA-N
InChi Code	InChI=1S/C26H22F4N6O2/c1-13(2)35-11-14-7-21(26(28,29)30)31-8-16(14)18-10-33-25(36-12-34-22(23(18)36)24(35)37)32-9-17-15-5-6-38-20(15)4-3-19(17)27/h3-4,7-8,10,12-13H,5-6,9,11H2,1-2H3,(H,32,33)
Chemical Name	15-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-9-propan-2-yl-5-(trifluoromethyl)-4,9,12,14,16-pentazatetracyclo[9.6.1.02,7.014,18]octadeca-1(17),2,4,6,11(18),12,15-heptaen-10-one
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]. Discovery of EEDi-5273 as an Exceptionally Potent and Orally Efficacious EED Inhibitor Capable of Achieving Complete and Persistent Tumor Regression. J Med Chem. 2021 Oct 14;64(19):14540-14556.

Solubility Data

Solubility (In Vitro)

DMSO : ~25 mg/mL (~47.48 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 1 mg/mL (1.90 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 10.0 mg/mL clear DMSO stock solution to 400 μL of PEG300 and mix evenly; then add 50 μL of Tween-80 + to the above solution and mix evenly; then add 450 μL of 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	1.8994 mL	9.4969 mL	18.9937 mL
	5 mM	0.3799 mL	1.8994 mL	3.7987 mL
	10 mM	0.1899 mL	0.9497 mL	1.8994 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.