EPZ-719 is a novel and potent inhibitor of SETD2 (IC50 = 0.005 μM) with high selectivity compared to other histone methyltransferases.

Physicochemical Properties

Molecular Formula	C22H31FN4O3S
Molecular Weight	450.569947481155
Exact Mass	450.21
Elemental Analysis	C, 58.65; H, 6.94; F, 4.22; N, 12.43; O, 10.65; S, 7.12
CAS #	2697176-16-0
Related CAS #	EPZ-719 HCl; 2697176-16-0;411757-44-1 (rel-);EPZ-719 mesylate;
PubChem CID	156599545
Appearance	Off-white to yellow solid powder
LogP	3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	31
Complexity	760
Defined Atom Stereocenter Count	3
SMILES	S(C)(N(C)[C@H]1CCN(C1)[C@H]1CCC[C@H](C1)NC(C1=CC2C(=CC=C(C)C=2N1)F)=O)(=O)=O
InChi Key	ZLVKIBLQXFILMA-IKGGRYGDSA-N
InChi Code	InChI=1S/C22H31FN4O3S/c1-14-7-8-19(23)18-12-20(25-21(14)18)22(28)24-15-5-4-6-16(11-15)27-10-9-17(13-27)26(2)31(3,29)30/h7-8,12,15-17,25H,4-6,9-11,13H2,1-3H3,(H,24,28)/t15-,16+,17+/m1/s1
Chemical Name	1H-Indole-2-carboxamide, 4-fluoro-7-methyl-N-[(1R,3S)-3-[(3S)-3-[methyl(methylsulfonyl)amino]-1-pyrrolidinyl]cyclohexyl]-
Synonyms	EPZ-719; EPZ 719; EPZ719;
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 a First-in-Class Inhibitor of the Histone Methyltransferase SETD2 Suitable for Preclinical Studies. ACS Med Chem Lett. 2021 Aug 24;12(10):1539-1545.

Solubility Data

Solubility (In Vitro)

DMSO : 50 mg/mL (110.97 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 12.5 mg/mL (27.74 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 125.0 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: ≥ 1.25 mg/mL (2.77 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 12.5 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 3: ≥ 1.25 mg/mL (2.77 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 12.5 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	2.2194 mL	11.0971 mL	22.1941 mL
	5 mM	0.4439 mL	2.2194 mL	4.4388 mL
	10 mM	0.2219 mL	1.1097 mL	2.2194 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.