ABN401 is a potent and specific ATP-competitive c-MET inhibitor (antagonist) with IC50 of 10 nM. ABN401 is cytotoxic to MET-tropic cancer/tumor cells. ABN401 can inhibit the phosphorylation of c-MET in tumor tissues. ABN401 may be utilized in anti-cancer research.

Physicochemical Properties

Molecular Formula	C29H34N12O
Molecular Weight	566.660063266754
Exact Mass	566.297
CAS #	2242563-15-9
PubChem CID	118364782
Appearance	Off-white to light yellow solid powder
LogP	0.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	7
Heavy Atom Count	42
Complexity	847
Defined Atom Stereocenter Count	0
SMILES	C12N=NN(CC3OCCN(C4=NC=C(C5=CC=C(CN6CCN(C)CC6)C=C5)C=N4)C3)C1=NC(C1=CN(C)N=C1)=CN=2
InChi Key	PQJGYYZYYMVBDF-UHFFFAOYSA-N
InChi Code	InChI=1S/C29H34N12O/c1-37-7-9-39(10-8-37)17-21-3-5-22(6-4-21)23-13-31-29(32-14-23)40-11-12-42-25(19-40)20-41-28-27(35-36-41)30-16-26(34-28)24-15-33-38(2)18-24/h3-6,13-16,18,25H,7-12,17,19-20H2,1-2H3
Chemical Name	4-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]-2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]morpholine
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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light.
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

References

[1]. Therapeutic Efficacy of ABN401, a Highly Potent and Selective MET Inhibitor, Based on Diagnostic Biomarker Test in MET-Addicted Cancer. Cancers (Basel). 2020;12(6):1575. Published 2020 Jun 15.

Solubility Data

Solubility (In Vitro)

DMSO : ~10 mg/mL (~17.65 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 1 mg/mL (1.76 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 10.0 mg/mL clear DMSO stock solution to 400 μL of PEG300 and mix evenly; then add 50 μL of Tween-80 to the above solution and mix evenly; then add 450 μL of 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 mg/mL (1.76 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 10.0 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	1.7647 mL	8.8236 mL	17.6473 mL
	5 mM	0.3529 mL	1.7647 mL	3.5295 mL
	10 mM	0.1765 mL	0.8824 mL	1.7647 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.