NSC305787 is an ezrin inhibitor (antagonist) with Kd of 5.85 μM. It inhibits ezrin phosphorylation caused by PKCΙ, IC50 of 8.3 μM, and has anti-tumor activity.

Physicochemical Properties

Molecular Formula	C25H30CL2N2O
Molecular Weight	445.4245
Exact Mass	444.173
CAS #	785718-37-8
Related CAS #	(Rac)-NSC305787 hydrochloride;53868-26-1
PubChem CID	470998
Appearance	White to off-white solid powder
Density	1.3±0.1 g/cm3
Boiling Point	597.2±45.0 °C at 760 mmHg
Flash Point	315.0±28.7 °C
Vapour Pressure	0.0±1.8 mmHg at 25°C
Index of Refraction	1.646
LogP	5.73
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	30
Complexity	603
Defined Atom Stereocenter Count	0
SMILES	ClC1=C([H])C(=C([H])C2=C1N=C(C([H])=C2C([H])(C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N1[H])O[H])C12C([H])([H])C3([H])C([H])([H])C([H])(C([H])([H])C([H])(C3([H])[H])C1([H])[H])C2([H])[H])Cl
InChi Key	YNGQUUFYBFKLNH-UHFFFAOYSA-N
InChi Code	InChI=1S/C25H30Cl2N2O/c26-17-8-18-19(24(30)21-3-1-2-4-28-21)10-22(29-23(18)20(27)9-17)25-11-14-5-15(12-25)7-16(6-14)13-25/h8-10,14-16,21,24,28,30H,1-7,11-13H2
Chemical Name	[2-(1-adamantyl)-6,8-dichloroquinolin-4-yl]-piperidin-2-ylmethanol
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	NSC305787 is an ezrin inhibitor that exhibits anti-tumor activity and a Kd of 5.85 μM. Ezrin, Moesin, Radixin, and MBP's PKCI phosphorylation is inhibited by NSC305787, with IC50 values of 8.3, 9.4, 55, and 58.9 μM, respectively. With a Kd value of 172.4 μM, NSC305787 binds to PKCI and primarily blocks ezrin T567 phosphorylation by binding to ezrin instead of PKCI kinase activity. NSC305787 (1, 10 μM) exhibits inhibitory activity against K7M2 osteosarcoma (OS) cell invasion mediated by ezrin. Moreover, NSC305787 (10 μM) inhibits the growth of OS metastasis in lung organ cultures and decreases the cell motility phenotype of zebrafish [1].
ln Vivo	In mouse lungs, NSC305787 (0.240 mg/kg/day, intraperitoneal injection) prevents ezrin-dependent osteosarcoma from spreading [1]. In a transgenic mouse model of osteosarcoma (Osx-Cre+p53fl/flpRBfl/fl), NSC305787 (240 μg/kg, i.p.) significantly suppresses lung metastasis and seems to be more beneficial than NSC668394 in the mouse model. dynamic qualities [2].
References	[1]. Small molecule inhibitors of ezrin inhibit the invasive phenotype of osteosarcoma cells. Oncogene. 2012 Jan 19;31(3):269-81. [2]. Ezrin Inhibition Up-regulates Stress Response Gene Expression. J Biol Chem. 2016 Jun 17;291(25):13257-70.

Solubility Data

Solubility (In Vitro)

DMSO : ~6 mg/mL (~13.47 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 0.6 mg/mL (1.35 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 6.0 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: ≥ 0.6 mg/mL (1.35 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 6.0 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: ≥ 0.6 mg/mL (1.35 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 6.0 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	2.2451 mL	11.2254 mL	22.4507 mL
	5 mM	0.4490 mL	2.2451 mL	4.4901 mL
	10 mM	0.2245 mL	1.1225 mL	2.2451 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.