Dofequidar
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MedKoo CAT#: 201065

CAS#: 129716-58-1 (free base)

Description: Dofequidar, also known as MS-209, is a quinolone-derived sphingomyelin synthase inhibitor that blocks P-glycoprotein and multidrug resistance-associated protein-1, is under development by Schering for the potential treatment of multidrug resistant tumors. Dofequidar was found to sensitizes cancer stem-like side population cells to chemotherapeutic drugs by inhibiting ABCG2/BCRP-mediated drug export.


Chemical Structure

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Dofequidar
CAS# 129716-58-1 (free base)

Theoretical Analysis

MedKoo Cat#: 201065
Name: Dofequidar
CAS#: 129716-58-1 (free base)
Chemical Formula: C30H31N3O3
Exact Mass: 481.23654
Molecular Weight: 481.59
Elemental Analysis: C, 74.82; H, 6.49; N, 8.73; O, 9.97

Size Price Shipping out time Quantity
5mg USD 120 Same day
10mg USD 190 Same day
25mg USD 350 Same day
50mg USD 550 Same day
100mg USD 850 Same day
200mg USD 1250 Same day
500mg USD 2150 Same day
1g USD 3450 Same day
2g USD 5650 Same day
Inquire bulk and customized quantity

Pricing updated 2021-03-07. Prices are subject to change without notice.

Dofequidar (free base), purity > 98%, is in stock. The same day shipping out after order is received.

Related CAS #: 129716-58-1 (free base); 153653-30-6 (furamate salt);  

Synonym: MS-209; MS 209; MS209; Dofequidar

IUPAC/Chemical Name: 1-(4-(2-hydroxy-3-(quinolin-5-yloxy)propyl)piperazin-1-yl)-2,2-diphenylethanone

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

SMILES Code: OC(COC1=C2C=CC=NC2=CC=C1)CN3CCN(C(C(C4=CC=CC=C4)C5=CC=CC=C5)=O)CC3

Appearance:
white solid powder

Purity:
>98% (or refer to the Certificate of Analysis)

Shipping Condition:
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition:
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility:
Soluble in DMSO, not in water

Shelf Life:
>2 years if stored properly

Drug Formulation:
This drug may be formulated in DMSO

Stock Solution Storage:
0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code:
2934.99.9001

Preparing Stock Solutions

The following data is based on the product molecular weight 481.59 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Select a batch to recalculate based on the batch molecular weight:
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL

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1. Katayama R, Koike S, Sato S, Sugimoto Y, Tsuruo T, Fujita N. Dofequidar fumarate sensitizes cancer stem-like side population cells to chemotherapeutic drugs by inhibiting ABCG2/BCRP-mediated drug export. Cancer Sci. 2009 Nov;100(11):2060-8. doi: 10.1111/j.1349-7006.2009.01288.x. Epub 2009 Jul 17. PubMed PMID: 19673889.



Additional Information

A substance that is being studied for its ability to make cancer cells respond better to chemotherapy drugs to which they have become resistant. It belongs to the family of drugs called quinolone antibiotics. A synthetic quinoline derivative with multidrug resistance (MDR) modulating properties. Dofequidar fumarate, like many other MDR reversal agents, binds competitively to the drug-binding site of the transmembrane P-glycoprotein efflux pump (P-gp). Once bound to the P-gp efflux pump, dofequidar is transported out of transformed cells by a mechanism similar to that used by cytotoxic drugs, thereby blocking the efflux of these compounds from the cell. Inhibition of the efflux pump by this agent leads to a retention of the cytotoxic drug resulting in increased intracellular drug concentrations, thereby enhancing cytotoxicity. Dofequidar has demonstrated reversal of the MDR phenotype in those cells exposed to various chemotherapeutic agents, such as vinca alkaloids and anthracyclines.