XR9051 Hydrochloride

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

MedKoo CAT#: 525850

CAS#: 180422-22-4

Description: XR9051 Hydrochloride is a potent modulator of P-glycoprotein-mediated multidrug resistance (MDR), inhibiting the binding of cytotoxics to P-glycoprotein.

Chemical Structure

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XR9051 Hydrochloride
CAS# 180422-22-4
Instruction

Theoretical Analysis

MedKoo Cat#: 525850
Name: XR9051 Hydrochloride
CAS#: 180422-22-4
Chemical Formula: C39H38N4O5
Exact Mass: 642.28
Molecular Weight: 642.756
Elemental Analysis: C, 72.88; H, 5.96; N, 8.72; O, 12.45

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

Synonym: XR9051 Hydrochloride

IUPAC/Chemical Name: N-(4-(2-(6,7-Dimethoxy-1,2,3,4-tetrahydro-2-isoquinolyl)ethyl)phenyl)-3-((3Z,6Z)-6-benzylidene-1-methyl-2,5-dioxo-3-pipera zinylidene hydrochloride

InChi Key: RTIZZWMBGKGLFO-YWQXDYITSA-N

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(CCN2CCC(C=C(OC)C(OC)=C3)=C3C2)C=C1)C4=CC(/C=C5NC(/C(N(C)C\5=O)=C/C6=CC=CC=C6)=O)=CC=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

Shelf Life: >2 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

More Info:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 642.76 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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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1: Dale IL, Tuffley W, Callaghan R, Holmes JA, Martin K, Luscombe M, Mistry P, Ryder H, Stewart AJ, Charlton P, Twentyman PR, Bevan P. Reversal of P-glycoprotein-mediated multidrug resistance by XR9051, a novel diketopiperazine derivative. Br J Cancer. 1998 Oct;78(7):885-92. PubMed PMID: 9764579; PubMed Central PMCID: PMC2063130.

2: Mistry P, Plumb J, Eccles S, Watson S, Dale I, Ryder H, Box G, Charlton P, Templeton D, Bevan PB. In vivo efficacy of XR9051, a potent modulator of P-glycoprotein mediated multidrug resistance. Br J Cancer. 1999 Apr;79(11-12):1672-8. PubMed PMID: 10206276; PubMed Central PMCID: PMC2362811.

3: Minuesa G, Arimany-Nardi C, Erkizia I, Cedeño S, Moltó J, Clotet B, Pastor-Anglada M, Martinez-Picado J. P-glycoprotein (ABCB1) activity decreases raltegravir disposition in primary CD4+P-gphigh cells and correlates with HIV-1 viral load. J Antimicrob Chemother. 2016 Oct;71(10):2782-92. doi: 10.1093/jac/dkw215. Epub 2016 Jun 21. PubMed PMID: 27334660; PubMed Central PMCID: PMC5031918.

4: Wheeler R, Neo SY, Chew J, Hladky SB, Barrand MA. Use of membrane vesicles to investigate drug interactions with transporter proteins, P-glycoprotein and multidrug resistance-associated protein. Int J Clin Pharmacol Ther. 2000 Mar;38(3):122-9. PubMed PMID: 10739115.

5: Martin C, Berridge G, Higgins CF, Mistry P, Charlton P, Callaghan R. Communication between multiple drug binding sites on P-glycoprotein. Mol Pharmacol. 2000 Sep;58(3):624-32. PubMed PMID: 10953057.