MR837 is an inhibitor of NSD2-PWWP1. MR837 can bind to human nuclear receptor binding SET domain protein (PWWP domain).

Physicochemical Properties

Molecular Formula	C16H14N2OS
Molecular Weight	282.360162258148
Exact Mass	282.08
Elemental Analysis	C, 68.06; H, 5.00; N, 9.92; O, 5.67; S, 11.35
CAS #	1210906-48-1
PubChem CID	37484611
Appearance	White to yellow solid powder
LogP	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	20
Complexity	404
Defined Atom Stereocenter Count	0
InChi Key	WYAGGMZTARRIDX-UHFFFAOYSA-N
InChi Code	InChI=1S/C16H14N2OS/c17-10-12-3-5-13(6-4-12)16(19)18(14-7-8-14)11-15-2-1-9-20-15/h1-6,9,14H,7-8,11H2
Chemical Name	4-cyano-N-cyclopropyl-N-[(thiophen-2-yl)methyl]benzamide
Synonyms	ZINC 30303842ZINC30303842 ZINC-30303842 Z 336955588Z336955588 Z-336955588 NSD2-PWWP1 antagonist 3fAKOS009208722 MCULE-1968973126 NCGC00337199-01
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	MR837 is an NSD2-PWWP1 [1].
References	[1]. PWWP1 domain of NSD2 in complex with MR837.

Solubility Data

Solubility (In Vitro)

MEthanol : ~125 mg/mL (~442.70 mM) DMSO : ~100 mg/mL (~354.16 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (8.85 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 25.0 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: ≥ 2.5 mg/mL (8.85 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 25.0 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 3: ≥ 2.5 mg/mL (8.85 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	3.5416 mL	17.7079 mL	35.4158 mL
	5 mM	0.7083 mL	3.5416 mL	7.0832 mL
	10 mM	0.3542 mL	1.7708 mL	3.5416 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.