M2N12 is a potent and selective inhibitor of cell division cycle protein phosphatase 25C (Cdc25C) with IC50 of 0.09 μM. M2N12 also has the activity to inhibit Cdc25A and Cdc25B, with IC50s of 0.53 μM and 1.39 μM respectively. M2N12 has anticancer effect and may be used in cancer research.

Physicochemical Properties

Molecular Formula	C20H16CLN5O2
Molecular Weight	393.8263
Exact Mass	393.099
CAS #	2376577-06-7
Related CAS #	M5N36;2832887-40-6
PubChem CID	139600304
Appearance	Brown to red solid powder
LogP	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	28
Complexity	647
Defined Atom Stereocenter Count	0
SMILES	ClC1C(C2C([H])=C([H])C([H])=NC=2C(C=1N([H])C([H])([H])C1=C([H])N(C([H])([H])C2C([H])=C([H])C(C([H])([H])[H])=C([H])C=2[H])N=N1)=O)=O
InChi Key	BDBIMDYALUJAPR-UHFFFAOYSA-N
InChi Code	InChI=1S/C20H16ClN5O2/c1-12-4-6-13(7-5-12)10-26-11-14(24-25-26)9-23-18-16(21)19(27)15-3-2-8-22-17(15)20(18)28/h2-8,11,23H,9-10H2,1H3
Chemical Name	6-chloro-7-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methylamino]quinoline-5,8-dione
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	M2N12 (0-20 μM; 72 hours) exhibits cytotoxic activity against A-549, MDA-MB-231, KB, KB-VIN, MCF-7, and HBE tumor cell lines as well as a normal cell line (IC50=3.92 μM, 4.63 μM, 5.05 μM, 6.81 μM, 4.71 μM, and 6.00 μM, respectively)[1].
References	[1]. Identification of highly potent and selective Cdc25 protein phosphatases inhibitors from miniaturization click-chemistry-based combinatorial libraries. Eur J Med Chem. 2019 Sep 14;183:111696.

Solubility Data

Solubility (In Vitro)

DMSO : 11.11 mg/mL (28.21 mM)

Solubility (In Vivo)

Solubility in Formulation 1: 1.11 mg/mL (2.82 mM) in 10% DMSO + 40% PEG300 +5% Tween-80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 11.1 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.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.5392 mL	12.6958 mL	25.3917 mL
	5 mM	0.5078 mL	2.5392 mL	5.0783 mL
	10 mM	0.2539 mL	1.2696 mL	2.5392 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.