LEM-14 is a potent NSD2 inhibitor (antagonist) with IC50 of 132 µM. LEM-14 may be used for studying multiple myeloma.

Physicochemical Properties

Molecular Formula	C25H26N4O4S
Molecular Weight	478.563344478607
Exact Mass	478.167
CAS #	1814881-70-3
PubChem CID	30843512
Appearance	Light brown to gray solid powder
LogP	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Heavy Atom Count	34
Complexity	873
Defined Atom Stereocenter Count	1
SMILES	S1C2=C(C(NC(CN3CCN(C([C@H]4CC5C=CC=CC=5C(=O)O4)=O)CC3)=N2)=O)C2=C1CCCC2
InChi Key	ZJOXWRFJOUWUKX-GOSISDBHSA-N
InChi Code	InChI=1S/C25H26N4O4S/c30-22-21-17-7-3-4-8-19(17)34-23(21)27-20(26-22)14-28-9-11-29(12-10-28)24(31)18-13-15-5-1-2-6-16(15)25(32)33-18/h1-2,5-6,18H,3-4,7-14H2,(H,26,27,30)/t18-/m1/s1
Chemical Name	2-[[4-[(3R)-1-oxo-3,4-dihydroisochromene-3-carbonyl]piperazin-1-yl]methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Synonyms	LEM-14; LEM 14; LEM14
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]. Identification of LEM-14 inhibitor of the oncoprotein NSD2. Biochem Biophys Res Commun. 2019 Jan 1;508(1):102-108.

Solubility Data

Solubility (In Vitro)

DMSO : ~50 mg/mL (~104.48 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (5.22 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 25.0 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	2.0896 mL	10.4480 mL	20.8960 mL
	5 mM	0.4179 mL	2.0896 mL	4.1792 mL
	10 mM	0.2090 mL	1.0448 mL	2.0896 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.