Vacquinol-1 dihydrochloride (also known as NSC-13316; NSC13316) is an MKK4 (mitogen-activated protein kinase kinase 4) activator with antitumor activity. It rapidly and selectively induces glioma cell death. Also inducing apoptosis in hepatocellular carcinoma (HCC)cell. Research showed that vacquinol-1 displayed high cytotoxicity against glioma cells, resulting in a complete loss of viability as measured by ATP depletion. Vacquinol-1 could selectively target GCs in mixed cocultures with human fibroblasts. Moreover, vacquinol-1 had no effect on caspase activity at any concentration or time point, which was unlike that of staurosporin. In addition, the fluorescence staining and western blot analyses of GCs for activating MKK4 phosphorylation revealed a rapid and pronounced activation by vacquinol-1 at 7.5 μM.

Physicochemical Properties

Molecular Formula	C21H23CL3N2O
Molecular Weight	425.779122591019
CAS #	2309312-85-2
Related CAS #	Vacquinol-1 dihydrochloride;2309312-85-2
PubChem CID	129896712
Appearance	White to off-white solid powder
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	27
Complexity	426
Defined Atom Stereocenter Count	0
SMILES	ClC1C=CC(=CC=1)C1=CC(=C2C=CC=CC2=N1)C(C1CCCCN1)O.Cl.Cl
Synonyms	NSC13316 hydrochloride;NSC 13316; NSC-13316; Vacquinol-1;Vacquinol 1;Vacquinol1hydrochloride
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: This product requires protection from light (avoid light exposure) during transportation and storage.
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	In vitro activity: Vacquinol-1 induces rapid and specific cell death of glioma cells with IC50 of 3.14 μM via membrane ruffling, cell rounding, massive macropinocytic vacuole accumulation, ATP depletion, and cytoplasmic membrane rupture. Kinase Assay: Vacquinol-1 (also known as NSC-13316; NSC13316) is an MKK4 (mitogen-activated protein kinase kinase 4) activator with antitumor activity. Cell Assay: Cell viability is measured using CellTiter-Glo Luminescent Cell Viability Assay according to the manufacturer’s instructions.
ln Vivo	The ability of vacquinol-1 to attenuate tumor progression was previously tested in a mouse model for human GBM. Vacquinol-1 or vehicle (DMSO) were intracranially administered into the site of original cell deposit 6 weeks after engraftment. Results showed that tumors were invariantly smaller, and the area of necrosis and hGFAP and hNestin immunoreactivity was significantly reduced. Moreove, only tumor cells in vacquinol-1-treated mice showed a massive LAMP1 staining.
Animal Protocol	Dissolved in DMSO; 15 μM or 20 mg/kg; Intracranial injection, i.p., p.o. Mice bearing U3013MG tumors
References	Cell.2014 Apr 10;157(2):313-28.

Solubility Data

Solubility (In Vitro)	DMSO:70 mg/mL (164.4 mM) Water:<1 mg/mL Ethanol:<1 mg/mL
Solubility (In Vivo)	Solubility in Formulation 1: 10 mg/mL (23.49 mM) in 50% PEG300 +50% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. 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	2.3486 mL	11.7432 mL	23.4863 mL
	5 mM	0.4697 mL	2.3486 mL	4.6973 mL
	10 mM	0.2349 mL	1.1743 mL	2.3486 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.