WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H563616
CAS#: 158681-49-3 (furamate 1:1.5)
Description: Dofequidar fumarate is a potent inhibitor of MDR-1.
Hodoodo Cat#: H563616
Name: Dofequidar fumarate
CAS#: 158681-49-3 (furamate 1:1.5)
Chemical Formula: C72H74N6O18
Exact Mass: 0.00
Molecular Weight: 1,311.408
Elemental Analysis: C, 65.94; H, 5.69; N, 6.41; O, 21.96
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Related CAS #: 129716-58-1 (free base) 153653-30-6 (furamate 1:1) 158681-49-3 (furamate 1:1.5)
Synonym: Dofequidar fumarate; MS-209 fumarate; MS 209 fumarate; MS209 fumarate;
IUPAC/Chemical Name: 1-[4-(2-Hydroxy-3-quinolin-5-yloxypropyl)piperazin-1-yl]-2,2-diphenylethanone fumarate (2:3)
InChi Key: ZGMJYTYLTJFNCS-VQYXCCSOSA-N
InChi Code: InChI=1S/2C30H31N3O3.3C4H4O4/c2*34-25(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;3*5-3(6)1-2-4(7)8/h2*1-16,25,29,34H,17-22H2;3*1-2H,(H,5,6)(H,7,8)/b;;3*2-1+
SMILES Code: OC(COC1=C2C=CC=NC2=CC=C1)CN3CCN(C(C(C4=CC=CC=C4)C5=CC=CC=C5)=O)CC3.OC(COC6=C7C=CC=NC7=CC=C6)CN8CCN(C(C(C9=CC=CC=C9)C%10=CC=CC=C%10)=O)CC8.O=C(O)/C=C/C(O)=O.O=C(O)/C=C/C(O)=O.O=C(O)/C=C/C(O)=O
Appearance: 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
Shelf Life: >3 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: 2934.99.03.00
More Info:
Biological target: | |
In vitro activity: | |
In vivo activity: |
The following data is based on the product molecular weight 1,311.41 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.
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 |
Formulation protocol: | |
In vitro protocol: | |
In vivo protocol: |
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.
2: Bayés M, Rabasseda X, Prous JR. Gateways to clinical trials. Methods Find Exp Clin Pharmacol. 2007 Jun;29(5):359-73. PubMed PMID: 17805439.
3: Saeki T, Nomizu T, Toi M, Ito Y, Noguchi S, Kobayashi T, Asaga T, Minami H, Yamamoto N, Aogi K, Ikeda T, Ohashi Y, Sato W, Tsuruo T. Dofequidar fumarate (MS-209) in combination with cyclophosphamide, doxorubicin, and fluorouracil for patients with advanced or recurrent breast cancer. J Clin Oncol. 2007 Feb 1;25(4):411-7. Epub 2006 Dec 18. PubMed PMID: 17179098.
4: Saeki T, Tsuruo T, Sato W, Nishikawsa K. Drug resistance in chemotherapy for breast cancer. Cancer Chemother Pharmacol. 2005 Nov;56 Suppl 1:84-9. PubMed PMID: 16273361.