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MedKoo Cat#: 461664 | Name: S 9788

Description:

WARNING: This product is for research use only, not for human or veterinary use.

S 9788 is a triazinoaminopiperidine derivative and a multidrug-resistance modulator.

Chemical Structure

S 9788
S 9788
CAS#140945-01-3

Theoretical Analysis

MedKoo Cat#: 461664

Name: S 9788

CAS#: 140945-01-3

Chemical Formula: C28H33F2N7

Exact Mass: 505.2766

Molecular Weight: 505.62

Elemental Analysis: C, 66.51; H, 6.58; F, 7.51; N, 19.39

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
S 9788; S-9788; S9788;
IUPAC/Chemical Name
N2,N4-diallyl-6-(4-((2,2-bis(4-fluorophenyl)ethyl)amino)piperidin-1-yl)-1,3,5-triazine-2,4-diamine
InChi Key
GERNFWKTMKWULM-UHFFFAOYSA-N
InChi Code
InChI=1S/C28H33F2N7/c1-3-15-31-26-34-27(32-16-4-2)36-28(35-26)37-17-13-24(14-18-37)33-19-25(20-5-9-22(29)10-6-20)21-7-11-23(30)12-8-21/h3-12,24-25,33H,1-2,13-19H2,(H2,31,32,34,35,36)
SMILES Code
C=CCNC1=NC(N2CCC(NCC(C3=CC=C(F)C=C3)C4=CC=C(F)C=C4)CC2)=NC(NCC=C)=N1
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

Preparing Stock Solutions

The following data is based on the product molecular weight 505.62 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
1: Soudon J, Berlion M, Lucas C, Haddad P, Bizzari JP, Calvo F. In vitro activity of S 9788 on a multidrug-resistant leukemic cell line and on normal hematopoietic cells-reversal of multidrug resistance by sera from phase I-treated patients. Cancer Chemother Pharmacol. 1995;36(3):195-203. PubMed PMID: 7781138. 2: Efferth T, Dunn TA, Berlion M, Langenbahn H, Pommerenke EW, Volm M. Reversal of inherent multidrug-resistance in primary human renal cell carcinoma cell cultures by S 9788. Anticancer Res. 1993 Jul-Aug;13(4):905-8. PubMed PMID: 8102519. 3: Cros S, Guilbaud N, Berlion M, Dunn T, Regnier G, Dhainaut A, Atassi G, Bizzari JP. In vivo evidence of complete circumvention of vincristine resistance by a new triazinoaminopiperidine derivative S 9788 in P388/VCR leukemia model. Cancer Chemother Pharmacol. 1992;30(6):491-4. PubMed PMID: 1394807. 4: Oum'Hamed Z, Berlion M, Millot-Broglio C, Dufer J, Joly P, Bizzari JP, Desplaces A. [Quantitative cytological study of the activity of a new resistance modulator, S 9788, on human leukemic cells using multiparametric image analysis]. Bull Cancer. 1994 Mar;81(3):203-11. French. PubMed PMID: 7894128. 5: Tassin JP, Dubois J, Atassi G, Hanocq M. Simultaneous determination of cytotoxic (adriamycin, vincristine) and modulator of resistance (verapamil, S 9788) drugs in human cells by high-performance liquid chromatography and ultraviolet detection. J Chromatogr B Biomed Sci Appl. 1997 Apr 11;691(2):449-56. PubMed PMID: 9174283. 6: Le Bot MA, Kernaleguen D, Robert J, Berlion M, Riché C. Modulation of anthracycline accumulation and metabolism in rat hepatocytes in culture by three revertants of multidrug resistance. Cancer Chemother Pharmacol. 1994;35(1):53-8. PubMed PMID: 7987977. 7: Pierré A, Dunn TA, Kraus-Berthier L, Léonce S, Saint-Dizier D, Régnier G, Dhainaut A, Berlion M, Bizzari JP, Atassi G. In vitro and in vivo circumvention of multidrug resistance by Servier 9788, a novel triazinoaminopiperidine derivative. Invest New Drugs. 1992 Aug;10(3):137-48. PubMed PMID: 1428723. 8: Bichat F, Solis-Recendez G, Poullain MG, Poupon MF, Khayat D, Bastian G. S9788 modulation of P-glycoprotein- and Multidrug-related protein-mediated multidrug resistance by Servier 9788 in doxorubicin-resistant MCF7 cells. Biochem Pharmacol. 1998 Aug 15;56(4):497-502. PubMed PMID: 9763226. 9: Hu YP, Chapey C, Robert J. Relationship between the inhibition of azidopine binding to P-glycoprotein by MDR modulators and their efficiency in restoring doxorubicin intracellular accumulation. Cancer Lett. 1996 Dec 3;109(1-2):203-9. PubMed PMID: 9020922. 10: Massart C, Gibassier J, Raoul M, Pourquier P, Leclech G, Robert J, Lucas C. Cyclosporin A, verapamil and S9788 reverse doxorubicin resistance in a human medullary thyroid carcinoma cell line. Anticancer Drugs. 1995 Feb;6(1):135-46. PubMed PMID: 7756676. 11: Joly P, Lallemand A, Oum'Hamed Z, Trentesaux C, Idoine O, Desplaces A. Effects of verapamil and S9788 on MDR-1 mRNA expression studied by in situ hybridization. Anticancer Res. 1996 Nov-Dec;16(6B):3609-14. PubMed PMID: 9042229. 12: Dirson G, Fernandez C, Hindlet P, Roux F, German-Fattal M, Gimenez F, Farinotti R. Efavirenz does not interact with the ABCB1 transporter at the blood-brain barrier. Pharm Res. 2006 Jul;23(7):1525-32. Epub 2006 Jun 21. PubMed PMID: 16779703. 13: Demmer A, Dunn T, Hoof T, Kubesch P, Tümmler B. Competitive inhibition of photoaffinity labelling of P-glycoprotein by anticancer drugs and modulators including S9788. Eur J Pharmacol. 1996 Nov 21;315(3):339-43. PubMed PMID: 8982674. 14: Monnaert V, Betbeder D, Fenart L, Bricout H, Lenfant AM, Landry C, Cecchelli R, Monflier E, Tilloy S. Effects of gamma- and hydroxypropyl-gamma-cyclodextrins on the transport of doxorubicin across an in vitro model of blood-brain barrier. J Pharmacol Exp Ther. 2004 Dec;311(3):1115-20. Epub 2004 Jul 27. PubMed PMID: 15280439. 15: Rossi JF. Chemoresistance and multiple myeloma: from biological to clinical aspects. Stem Cells. 1995 Aug;13 Suppl 2:64-71. Review. PubMed PMID: 8520514. 16: Fenart L, Buée-Scherrer V, Descamps L, Duhem C, Poullain MG, Cecchelli R, Dehouck MP. Inhibition of P-glycoprotein: rapid assessment of its implication in blood-brain barrier integrity and drug transport to the brain by an in vitro model of the blood-brain barrier. Pharm Res. 1998 Jul;15(7):993-1000. PubMed PMID: 9688050. 17: Cayre A, Moins N, Finat-Duclos F, Verrelle P, Maublant J. Comparison between technetium-99m-sestamibi and hydrogen-3-daunomycin myocardial cellular retention in vitro. J Nucl Med. 1997 Nov;38(11):1674-7. PubMed PMID: 9374331. 18: Massart C, Gibassier J, Raoul M, Denais A, Maugendre S, Darcel F, Lucas C. Effect of S9788 on the efficiency of doxorubicin in vivo and in vitro in medullary thyroid carcinoma xenograft. Anticancer Drugs. 1996 May;7(3):321-30. PubMed PMID: 8792007. 19: Léonce S, Pierré A, Anstett M, Pérez V, Genton A, Bizzari JP, Atassi G. Effects of a new triazinoaminopiperidine derivative on adriamycin accumulation and retention in cells displaying P-glycoprotein-mediated multidrug resistance. Biochem Pharmacol. 1992 Nov 3;44(9):1707-15. PubMed PMID: 1360210. 20: Belhoussine R, Morjani H, Millot JM, Sharonov S, Manfait M. Confocal scanning microspectrofluorometry reveals specific anthracyline accumulation in cytoplasmic organelles of multidrug-resistant cancer cells. J Histochem Cytochem. 1998 Dec;46(12):1369-76. PubMed PMID: 9815278.

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