EHMT2-IN-1 is a potent EHMT inhibitor (antagonist) with IC50 of less than 100 nM for EHMT1 peptides, EHMT2 peptides and intracellular EHMT2. For research into blood disorders or cancer.

Physicochemical Properties

Molecular Formula	C18H23N7O
Molecular Weight	353.421522378922
Exact Mass	353.196
CAS #	2230849-55-3
PubChem CID	135154879
Appearance	White to off-white solid powder
LogP	2.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Heavy Atom Count	26
Complexity	426
Defined Atom Stereocenter Count	0
SMILES	O(C)C1=CC=C(C=C1N1C=C(C=N1)CNC)NC1N=C(C=C(C)N=1)NC
InChi Key	DJSJHTKOFPOYRZ-UHFFFAOYSA-N
InChi Code	InChI=1S/C18H23N7O/c1-12-7-17(20-3)24-18(22-12)23-14-5-6-16(26-4)15(8-14)25-11-13(9-19-2)10-21-25/h5-8,10-11,19H,9H2,1-4H3,(H2,20,22,23,24)
Chemical Name	2-N-[4-methoxy-3-[4-(methylaminomethyl)pyrazol-1-yl]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
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

ln Vitro	EHMT2-IN-1 (compound 108) is a strong inhibitor of EHMT that has IC50 values less than 100 nM for cellular EHMT2, EHMT1 peptide, and EHMT2 peptide [1].
References	[1]. Amine-substituted heterocyclic compounds as ehmt2 inhibitors and methods of use thereof. WO2018118842A1.

Solubility Data

Solubility (In Vitro)

DMSO : ~55 mg/mL (~155.62 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 0.92 mg/mL (2.60 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 9.2 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 2: ≥ 0.92 mg/mL (2.60 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 9.2 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 3: ≥ 0.92 mg/mL (2.60 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 9.2 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	2.8295 mL	14.1475 mL	28.2949 mL
	5 mM	0.5659 mL	2.8295 mL	5.6590 mL
	10 mM	0.2829 mL	1.4147 mL	2.8295 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.