MTX-211 is a novel and potent dual inhibitor of EGFR and PI3K with the potential to be used for the treatment of cancer, in particular KRAS mutant colorectal cancer.

Physicochemical Properties

Molecular Formula	C20H14CL2FN5O2S
Molecular Weight	478.326863765717
Exact Mass	477.022
CAS #	1952236-05-3
PubChem CID	121416213
Appearance	Light yellow to khaki solid powder
LogP	4.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Heavy Atom Count	31
Complexity	714
Defined Atom Stereocenter Count	0
SMILES	ClC1=C(C=C(C=N1)C1C=CC2C(=C(N=CN=2)NC2C=CC(=C(C=2)Cl)F)C=1)NS(C)(=O)=O
InChi Key	GUYKCXXNIKKSBC-UHFFFAOYSA-N
InChi Code	InChI=1S/C20H14Cl2FN5O2S/c1-31(29,30)28-18-7-12(9-24-19(18)22)11-2-5-17-14(6-11)20(26-10-25-17)27-13-3-4-16(23)15(21)8-13/h2-10,28H,1H3,(H,25,26,27)
Chemical Name	N-[2-chloro-5-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]pyridin-3-yl]methanesulfonamide
Synonyms	MTX-211; MTX211; MTX 211.
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	MTX-211 (MOL211), with an IC50 value of less than 100 nM, exhibits inhibitory action against both EGFR and PI3K Alpha[1].
References	[1]. Small molecule inhibitors of egfr and pi3k. WO 2016100347 A2.

Solubility Data

Solubility (In Vitro)

DMSO : ~12.5 mg/mL (~26.13 mM)

Solubility (In Vivo)

Solubility in Formulation 1: 1.25 mg/mL (2.61 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 12.5 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: 1.25 mg/mL (2.61 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 12.5 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	2.0906 mL	10.4530 mL	20.9061 mL
	5 mM	0.4181 mL	2.0906 mL	4.1812 mL
	10 mM	0.2091 mL	1.0453 mL	2.0906 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.