Dofequidar fumarate(MS-209 fumarate), an orally active quinoline compound, has been reported to overcome MDR by inhibiting ABCB1/P-gp, ABCC1/MDR-associated protein 1, or both.

Physicochemical Properties

Molecular Formula	C30H31N3O3
Molecular Weight	481.58544
Exact Mass	481.237
CAS #	129716-58-1
PubChem CID	213040
Density	1.228g/cm3
Boiling Point	720.8ºC at 760mmHg
Flash Point	389.7ºC
Vapour Pressure	8.36E-22mmHg at 25°C
Index of Refraction	1.64
LogP	3.826
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Heavy Atom Count	36
Complexity	652
Defined Atom Stereocenter Count	0
SMILES	OC(COC1=C2C=CC=NC2=CC=C1)CN3CCN(C(C(C4=CC=CC=C4)C5=CC=CC=C5)=O)CC3
InChi Key	KLWUUPVJTLHYIM-UHFFFAOYSA-N
InChi Code	InChI=1S/C30H31N3O3/c34-25(22-36-28-15-7-14-27-26(28)13-8-16-31-27)21-32-17-19-33(20-18-32)30(35)29(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-16,25,29,34H,17-22H2
Chemical Name	1-[4-(2-hydroxy-3-quinolin-5-yloxypropyl)piperazin-1-yl]-2,2-diphenylethanone

Biological Activity

References

[1]. MS-209, a quinoline-type reversal agent, potentiates antitumor efficacy of docetaxel in multidrug-resistant solid tumor xenograft models. Clin Cancer Res. 2002 Feb;8(2):582-8. [2]. A new quinoline derivative MS-209 reverses multidrug resistance and inhibits multiorgan metastases by P-glycoprotein-expressing human small cell lung cancer cells. Jpn J Cancer Res. 2001 Jul;92(7):785-92. [3]. Potentiation of the antitumor activity by a novel quinoline compound, MS-209, in multidrug-resistant solid tumor cell lines. Oncol Res. 1997;9(2):61-9.

Additional Infomation

Dofequidar is an antineoplastic agent. Dofequidar is an orally-available synthetic quinoline derivative with multidrug resistance modulating properties. Dofequidar binds to the drug-binding site of the transmembrane P-glycoprotein efflux pump and is preferentially transported from the cell, thereby blocking the efflux of other therapeutic agents.

Solubility Data

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.0765 mL	10.3823 mL	20.7646 mL
	5 mM	0.4153 mL	2.0765 mL	4.1529 mL
	10 mM	0.2076 mL	1.0382 mL	2.0765 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.