Mps1-IN-3 is a potent and specific inhibitor of MPS1 with IC50 of 50 nM.

Physicochemical Properties

Molecular Formula	C26H31N7O4S
Molecular Weight	537.64
Exact Mass	537.215
CAS #	1609584-72-6
Related CAS #	Mps1-IN-3 hydrochloride
PubChem CID	91885443
Appearance	Solid powder
Density	1.4±0.1 g/cm3
Index of Refraction	1.677
LogP	0.57
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	8
Heavy Atom Count	38
Complexity	866
Defined Atom Stereocenter Count	0
Synonyms	Mps1-IN3 Mps1 IN3 Mps1-IN-3
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	Mps1-IN-3, having an IC50 of 50 nM, is a strong inhibitor of MPS1 kinase. Mps1-IN-3 has an IC50 of about 5 µM, which prevents U251 glioblastoma cells from proliferating. Mps1-IN-3 (2 μM) abrogates the checkpoint altogether [1].
ln Vivo	In animal tumor models, Mps1-IN-3 (2 mg/kg, intravenously) sensitizes glioblastoma cells without causing harm and extending their survival [1].
References	[1]. Effects of the selective MPS1 inhibitor MPS1-IN-3 on glioblastoma sensitivity to antimitotic drugs. J Natl Cancer Inst. 2013 Sep 4;105(17):1322-31.

Solubility Data

Solubility (In Vitro)

DMSO : ~31.25 mg/mL (~58.13 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (4.65 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 (4.65 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. 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.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	1.8600 mL	9.2999 mL	18.5998 mL
	5 mM	0.3720 mL	1.8600 mL	3.7200 mL
	10 mM	0.1860 mL	0.9300 mL	1.8600 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.