MAT2A inhibitor 3 is a methionine adenosyltransferase 2A (MAT2A) inhibitor (antagonist) with IC50 of <200 nM. MAT2A inhibitor 3 may be utilized in cancer research. For more details, check and find compound 24 from the patent WO2020123395A1.

Physicochemical Properties

Molecular Formula	C16H14CLN3O
Molecular Weight	299.7549
Exact Mass	299.082
CAS #	2439271-82-4
PubChem CID	150703860
Appearance	White to off-white solid powder
LogP	3.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	21
Complexity	431
Defined Atom Stereocenter Count	0
SMILES	ClC1C([H])=C([H])C2C(=NC(N(C3C([H])=C([H])C([H])=C([H])C=3[H])C=2C=1[H])=O)N(C([H])([H])[H])C([H])([H])[H]
InChi Key	JMLJEYLWRAPHBL-UHFFFAOYSA-N
InChi Code	InChI=1S/C16H14ClN3O/c1-19(2)15-13-9-8-11(17)10-14(13)20(16(21)18-15)12-6-4-3-5-7-12/h3-10H,1-2H3
Chemical Name	7-chloro-4-(dimethylamino)-1-phenylquinazolin-2-one
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	IC50: <200 nM (MAT2A)[1]
ln Vitro	MAT2A inhibitor 3, possessing an IC50 of less than 200 nM, is a highly effective inhibitor of methionine adenosyltransferase 2A2[1].
References	[1]. 2-oxoquinazoline derivatives as methionine adenosyltransferase 2a inhibitors. WO2020123395A1.

Solubility Data

Solubility (In Vitro)

DMSO : 50 mg/mL (166.81 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (8.34 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 (8.34 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 (8.34 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	3.3361 mL	16.6806 mL	33.3611 mL
	5 mM	0.6672 mL	3.3361 mL	6.6722 mL
	10 mM	0.3336 mL	1.6681 mL	3.3361 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.