MI-2-2 is a potent menin-MLL inhibitor. MI-2-2 binds to menin with low nanomolar affinity (Kd=22 nM) and very efficiently disrupts the bivalent protein-protein interaction between menin and MLL. MI-2-2 has specific and highly significant activities in MLL leukemia cells like inhibiting cell growth/proliferation, downregulating Hoxa9 expression and differentiation.

Physicochemical Properties

Molecular Formula	C17H20F3N5S2
Molecular Weight	415.4972
Exact Mass	415.111
CAS #	1454920-20-7
PubChem CID	72201086
Appearance	White to off-white solid powder
Density	1.5±0.1 g/cm3
Boiling Point	515.1±60.0 °C at 760 mmHg
Flash Point	265.3±32.9 °C
Vapour Pressure	0.0±1.3 mmHg at 25°C
Index of Refraction	1.680
LogP	2.22
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	3
Heavy Atom Count	27
Complexity	577
Defined Atom Stereocenter Count	0
InChi Key	SFDROHXKTATJBI-UHFFFAOYSA-N
InChi Code	InChI=1S/C17H20F3N5S2/c1-16(2)9-21-15(27-16)25-5-3-24(4-6-25)13-12-7-11(8-17(18,19)20)26-14(12)23-10-22-13/h7,10H,3-6,8-9H2,1-2H3
Chemical Name	4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
Synonyms	MI 2 2; MI22; MI-2-2
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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light.
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	Menin's interaction with MBM1 (IC50= 46 nM) and the bivalent MLL fragment that contains MBM1 and MBM2 (IC50= 520 nM) is inhibited by MI-2-2. When BMC, a human leukemia cell line with the MLL-AF4 translocation, is transformed with MLL-AF9 and MV4;11, MI-2-2 shows highly significant activity at low micromolar doses [1].
References	[1]. Structural insights into inhibition of the bivalent menin-MLL interaction by small molecules in leukemia. Blood. 2012;120(23):4461-4469.

Solubility Data

Solubility (In Vitro)

DMSO : ~100 mg/mL (~240.67 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 3.75 mg/mL (9.03 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 37.5 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	2.4067 mL	12.0337 mL	24.0674 mL
	5 mM	0.4813 mL	2.4067 mL	4.8135 mL
	10 mM	0.2407 mL	1.2034 mL	2.4067 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.