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

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.

Chemical Structure

CAS# 762219-35-2

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

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

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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

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, 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: 2934.99.9001

Preparing Stock Solutions

The following data is based on the product molecular weight 644.7587 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. Methods and means for the treatment of cancer using a combination of a BCRP inhibitor and/or a P-gp inhibitor with an imidazotetrazine chemotherapeutic agent By Van Tellingen, Olaf From U.S. Pat. Appl. Publ. (2009), US 20090170880 A1 20090702.

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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

Additional Information