Zosuquidar trihydrochloride

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MedKoo CAT#: 203220

CAS#: 167465-36-3 ( HCl)

Description: Zosuquidar, also known as LY-335979, is a potent P-glycoprotein (P-gp) inhibitor, which binds with high affinity to P-glycoprotein and inhibits P-glycoprotein-mediated multidrug resistance (MDR). P-glycoprotein, encoded by the MDR-1 gene, is a member of the ATP-binding cassette superfamily of transmembrane transporters and prevents the intracellular accumulation of many natural product-derived cytotoxic agents.

Chemical Structure

Zosuquidar trihydrochloride
CAS# 167465-36-3 ( HCl)

Theoretical Analysis

MedKoo Cat#: 203220
Name: Zosuquidar trihydrochloride
CAS#: 167465-36-3 ( HCl)
Chemical Formula: C32H34Cl3F2N3O2
Exact Mass:
Molecular Weight: 637.0
Elemental Analysis: C, 60.34; H, 5.38; Cl, 16.70; F, 5.97; N, 6.60; O, 5.02

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Related CAS #: 167465-36-3 ( HCl)   167354-41-8 (free base)    

Synonym: LY 335979; LY-335979; LY335979; D06387; RS33295198; Zosuquidar HCl; Zosuquidar 3HCl; Zosuquidar trihydrochloride

IUPAC/Chemical Name: (2R)-1-{4-[(1aR,6r,10bS)-1,1-Difluoro-1,1a,6,10b-tetrahydrodibenzo[a,e]cyclopropa[c]cyclohepten-6-yl]piperazin-1-yl}-3-(quinolin-5-yloxy)propan-2-ol, trihydrochloride


InChi Code: InChI=1S/C32H31F2N3O2.3ClH/c33-32(34)29-22-7-1-3-9-24(22)31(25-10-4-2-8-23(25)30(29)32)37-17-15-36(16-18-37)19-21(38)20-39-28-13-5-12-27-26(28)11-6-14-35-27;;;/h1-14,21,29-31,38H,15-20H2;3*1H/t21-,29-,30+,31-;;;/m1.../s1

SMILES Code: O[C@@H](COC1=C2C=CC=NC2=CC=C1)CN3CCN([C@@H]4C5=CC=CC=C5[C@]6([H])[C@](C6(F)F)([H])C7=CC=CC=C74)CC3.[H]Cl.[H]Cl.[H]Cl

Appearance: Yellow 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: >10 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

Preparing Stock Solutions

The following data is based on the product molecular weight 637.0 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.

Recalculate based on batch purity %
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: Infed N, Smits SH, Dittrich T, Braun M, Driessen AJ, Hanekop N, Schmitt L. Analysis of the inhibition potential of zosuquidar derivatives on selected bacterial and fungal ABC transporters. Mol Membr Biol. 2013 Mar;30(2):217-27. doi: 10.3109/09687688.2012.758876. PubMed PMID: 23356389.

2: Abu Ajaj K, Graeser R, Kratz F. Zosuquidar and an albumin-binding prodrug of zosuquidar reverse multidrug resistance in breast cancer cells of doxorubicin and an albumin-binding prodrug of doxorubicin. Breast Cancer Res Treat. 2012 Jul;134(1):117-29. doi: 10.1007/s10549-011-1937-9. Epub 2012 Jan 8. PubMed PMID: 22228402.

3: Cripe LD, Uno H, Paietta EM, Litzow MR, Ketterling RP, Bennett JM, Rowe JM, Lazarus HM, Luger S, Tallman MS. Zosuquidar, a novel modulator of P-glycoprotein, does not improve the outcome of older patients with newly diagnosed acute myeloid leukemia: a randomized, placebo-controlled trial of the Eastern Cooperative Oncology Group 3999. Blood. 2010 Nov 18;116(20):4077-85. doi: 10.1182/blood-2010-04-277269. Epub 2010 Aug 17. PubMed PMID: 20716770; PubMed Central PMCID: PMC2993615.

4: Ruff P, Vorobiof DA, Jordaan JP, Demetriou GS, Moodley SD, Nosworthy AL, Werner ID, Raats J, Burgess LJ. A randomized, placebo-controlled, double-blind phase 2 study of docetaxel compared to docetaxel plus zosuquidar (LY335979) in women with metastatic or locally recurrent breast cancer who have received one prior chemotherapy regimen. Cancer Chemother Pharmacol. 2009 Sep;64(4):763-8. doi: 10.1007/s00280-009-0925-9. Epub 2009 Feb 25. PubMed PMID: 19241078.

5: Lancet JE, Baer MR, Duran GE, List AF, Fielding R, Marcelletti JF, Multani PS, Sikic BI. A phase I trial of continuous infusion of the multidrug resistance inhibitor zosuquidar with daunorubicin and cytarabine in acute myeloid leukemia. Leuk Res. 2009 Aug;33(8):1055-61. doi: 10.1016/j.leukres.2008.09.015. Epub 2008 Dec 23. PubMed PMID: 19108889.

6: Marcelletti JF, Multani PS, Lancet JE, Baer MR, Sikic BI. Leukemic blast and natural killer cell P-glycoprotein function and inhibition in a clinical trial of zosuquidar infusion in acute myeloid leukemia. Leuk Res. 2009 Jun;33(6):769-74. doi: 10.1016/j.leukres.2008.09.020. Epub 2008 Oct 30. PubMed PMID: 18976810.

7: Tang R, Faussat AM, Perrot JY, Marjanovic Z, Cohen S, Storme T, Morjani H, Legrand O, Marie JP. Zosuquidar restores drug sensitivity in P-glycoprotein expressing acute myeloid leukemia (AML). BMC Cancer. 2008 Feb 13;8:51. doi: 10.1186/1471-2407-8-51. PubMed PMID: 18271955; PubMed Central PMCID: PMC2258302.

8: Morschhauser F, Zinzani PL, Burgess M, Sloots L, Bouafia F, Dumontet C. Phase I/II trial of a P-glycoprotein inhibitor, Zosuquidar.3HCl trihydrochloride (LY335979), given orally in combination with the CHOP regimen in patients with non-Hodgkin's lymphoma. Leuk Lymphoma. 2007 Apr;48(4):708-15. PubMed PMID: 17454628.

9: Bihorel S, Camenisch G, Lemaire M, Scherrmann JM. Modulation of the brain distribution of imatinib and its metabolites in mice by valspodar, zosuquidar and elacridar. Pharm Res. 2007 Sep;24(9):1720-8. Epub 2007 Mar 23. PubMed PMID: 17380257.

10: Anderson BD, May MJ, Jordan S, Song L, Roberts MJ, Leggas M. Dependence of nelfinavir brain uptake on dose and tissue concentrations of the selective P-glycoprotein inhibitor zosuquidar in rats. Drug Metab Dispos. 2006 Apr;34(4):653-9. Epub 2006 Jan 24. PubMed PMID: 16434546.

Additional Information

Related CAS#
167465-36-3( HCl), 167354-41-8 (free base).