MAT2A inhibitor 4 is an inhibitor (blocker/antagonist) of methionine S-adenosyltransferase-2 catalytic subunit (MAT2A). MAT2A inhibitor 4 may be utilized in cancer research.

Physicochemical Properties

Molecular Formula	C16H15CLFN
Molecular Weight	275.748406648636
Exact Mass	275.087
CAS #	1391934-91-0
PubChem CID	60141313
Appearance	Light yellow to green yellow solid powder
LogP	5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	19
Complexity	297
Defined Atom Stereocenter Count	0
SMILES	ClC1C=CC=C(C=1/C=C/C1C=CC(=CC=1)N(C)C)F
InChi Key	ZAXUUHSGXRGGON-DHZHZOJOSA-N
InChi Code	InChI=1S/C16H15ClFN/c1-19(2)13-9-6-12(7-10-13)8-11-14-15(17)4-3-5-16(14)18/h3-11H,1-2H3/b11-8+
Chemical Name	4-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-N,N-dimethylaniline
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

Targets	MAT2A[1]
ln Vitro	Methionine S-adenosyltransferase-2's catalytic subunit is inhibited by MAT2A inhibitor 4[1].
References	[1]. 2',6'-Dihalostyrylanilines, pyridines, and pyrimidines for the inhibition of the catalytic subunit of methionine S-adenosyltransferase-2. J Med Chem. 2014;57(14):6083-6091.

Solubility Data

Solubility (In Vitro)

DMSO : 250 mg/mL (906.62 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (7.54 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 20.8 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: ≥ 2.08 mg/mL (7.54 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 20.8 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: ≥ 2.08 mg/mL (7.54 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 20.8 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	3.6265 mL	18.1324 mL	36.2647 mL
	5 mM	0.7253 mL	3.6265 mL	7.2529 mL
	10 mM	0.3626 mL	1.8132 mL	3.6265 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.