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MedKoo CAT#: 405550

CAS#: 762219-35-2

Description: XR9051 is as a potent modulator of P-glycoprotein (P-gp)-mediated multidrug resistance (MDR) following a synthetic chemistry programme based on a natural product lead compound. XR9051 was shown to be a potent inhibitor of the binding of the cytotoxic to P-glycoprotein (EC50 = 1.4 +/- 0.5 nM). XR9051 reverses the MDR phenotype through direct interaction with P-glycoprotein.

Price and Availability

Size Price Shipping out time Quantity
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Pricing updated 2020-09-27. Prices are subject to change without notice.

XR9051 is not in stock, but may be available through custom synthesis. For cost-effective reason, minimum 1 gram order is requested. The product will be characterized by NMR, HPLC and MS analysis. Purity (HPLC) is usually >98%. CoA, QC data, MSDS will be provided when product is successfully made. The estimated lead time is 2-3 months. Please send email to sales@medkoo.com to inquire quote.

Chemical Structure


Theoretical Analysis

MedKoo Cat#: 405550
Name: XR9051
CAS#: 762219-35-2
Chemical Formula: C39H40N4O5
Exact Mass: 644.29987
Molecular Weight: 644.7587
Elemental Analysis: C, 72.65; H, 6.25; N, 8.69; O, 12.41

Related CAS #: 762219-35-2 (free)   180422-22-4 (HCl)  

Synonym: XR9051; XR-9051; XR 9051.

IUPAC/Chemical Name: 3-((Z)-((Z)-5-benzylidene-4-methyl-3,6-dioxopiperazin-2-ylidene)methyl)-N-(4-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethyl)phenyl)benzamide


InChi Code: InChI=1S/C39H38N4O5/c1-42-34(22-27-8-5-4-6-9-27)38(45)41-33(39(42)46)21-28-10-7-11-30(20-28)37(44)40-32-14-12-26(13-15-32)16-18-43-19-17-29-23-35(47-2)36(48-3)24-31(29)25-43/h4-15,20-24H,16-19,25H2,1-3H3,(H,40,44)(H,41,45)/b33-21-,34-22-

SMILES Code: O=C(NC1=CC=C(CCN2CC3=C(C=C(OC)C(OC)=C3)CC2)C=C1)C4=CC=CC(/C=C(C(N(C)/C5=C\C6=CC=CC=C6)=O)\NC5=O)=C4

Technical Data

Solid powder

>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).

Soluble in DMSO, not in water

Shelf Life:
>5 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:

Additional Information



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6. Improving bioavailability of orally administered drugs, screening for enhancers of such bioavailability and oral drug delivery compositions By Schellens, Johannes Henricus Matthias; Schinkel, Alfred Hermanus From U.S. Pat. Appl. Publ. (2002), US 20020128282 A1 20020912.

7. Method and composition for modulating amyloidosis By Reiner, Peter B.; Lam, Fred Chiu-Lai From U.S. Pat. Appl. Publ. (2002), US 20020037843 A1 20020328.

8. Use of membrane vesicles to investigate drug interactions with transporter proteins, P-glycoprotein and multidrug resistance-associated protein By Wheeler, R.; Neo, S.-Y.; Chew, J.; Hladky, S. B.; Barrand, M. A. From International Journal of Clinical Pharmacology and Therapeutics (2000), 38(3), 122-129.

9. A method of improving bioavailability of orally administered drugs, screening for enhancers of such bioavailability and novel pharmaceutical compositions for oral delivery of drugs By Schellens, Johannes Henricus Matthias; Schinkel, Alfred Hermanus From PCT Int. Appl. (2000), WO 2000069390 A2 20001123.

10. Communication between multiple drug binding sites on P-glycoprotein By Martin, Catherine; Berridge, Georgina; Higgins, Christopher F.; Mistry, Prakash; Charlton, Peter; Callaghan, Richard From Molecular Pharmacology (2000), 58(3), 624-632