NSC 66811 is an MDM2-p53 inhibitor that binds to MDM2 with Ki of 120 nM.

Physicochemical Properties

Molecular Formula	C23H20N2O
Molecular Weight	340.42
Exact Mass	340.157
CAS #	6964-62-1
PubChem CID	248986
Appearance	Light brown to gray solid powder
Density	1.2±0.1 g/cm3
Boiling Point	529.5±45.0 °C at 760 mmHg
Melting Point	145 °C
Flash Point	274.0±28.7 °C
Vapour Pressure	0.0±1.4 mmHg at 25°C
Index of Refraction	1.708
LogP	4.73
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	26
Complexity	430
Defined Atom Stereocenter Count	0
InChi Key	WEENRMPCSWFMTE-UHFFFAOYSA-N
InChi Code	InChI=1S/C23H20N2O/c1-16-12-13-18-14-15-20(23(26)22(18)24-16)21(17-8-4-2-5-9-17)25-19-10-6-3-7-11-19/h2-15,21,25-26H,1H3
Chemical Name	7-[anilino(phenyl)methyl]-2-methylquinolin-8-ol
Synonyms	NSC 66811; NSC-66811; NSC66811
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	Because NSC 66811 (0, 5, 10, 20 μM) functionally activates p53, it causes p53, MDM2, and p21cip1/waf to accumulate in a dose-dependent manner [1].
Cell Assay	Western blot analysis[1] Cell Types: HCT-116 (p53+/+ and p53-/-) cells[1]. Tested Concentrations: 0, 5, 10, 20 μM. Incubation Duration: 48 hrs (hours). Experimental Results: Wild-type p53 dose-dependently induced the accumulation of p53, MDM2, and p21cip1/waf proteins in the HCT-116 human colon cancer cell line. There was no effect on p53, MDM2, and p21cip1/waf protein levels in the isogenic HCT-116 p53-/- cell line.
References	[1]. Discovery of a nanomolar inhibitor of the human murine double minute 2 (MDM2)-p53 interaction through an integrated, virtual database screening strategy. J Med Chem. 2006 Jun 29;49(13):3759-62. [2]. Small-Molecule Inhibitors of the MDM2-p53 Protein-Protein Interaction to Reactivate p53 Function: A Novel Approach for Cancer Therapy. Annu Rev Pharmacol Toxicol. 2009;49:223-41.

Solubility Data

Solubility (In Vitro)

DMSO : ~100 mg/mL (~293.75 mM)

Solubility (In Vivo)

Solubility in Formulation 1: 2.5 mg/mL (7.34 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 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 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 (7.34 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	2.9375 mL	14.6877 mL	29.3755 mL
	5 mM	0.5875 mL	2.9375 mL	5.8751 mL
	10 mM	0.2938 mL	1.4688 mL	2.9375 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.