180422-22-4

180422-22-4 structure

Name: XR 9051 HCl
Chemical Name: 3-[(5-benzylidene-4-methyl-3,6-dioxopiperazin-2-ylidene)methyl]-N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]benzamide,hydrochloride
CAS Number: 180422-22-4
Molecular Formula: C₃₉H₃₉ClN₄O₅
Molecular Weight: 679.20
Create Date: 2017-03-29 22:10:42
Modify Date: 2025-09-19 20:02:21
XR9051 hydrochloride is an orally active and specific modulator of P-glycoprotein-mediated multidrug resistance (MDR)[1].

Name	3-[(5-benzylidene-4-methyl-3,6-dioxopiperazin-2-ylidene)methyl]-N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]benzamide,hydrochloride
Synonyms	xr 9051 hcl

Description	XR9051 hydrochloride is an orally active and specific modulator of P-glycoprotein-mediated multidrug resistance (MDR)[1].
Related Catalog	Research Areas >> Cancer Signaling Pathways >> Membrane Transporter/Ion Channel >> P-glycoprotein
In Vitro	XR9051 is able to reverse resistance to a variety of cytotoxic drugs, including doxorubicin, etoposide and vincristine, which are associated with classical MDR[1]. XR9051 is highly active and gave at least a 15- to 20- fold decrease in the doxorubicin IC50, in the acquired resistance cell lines[1].
In Vivo	XR9051 (20-40 mg/kg, ip) shows significant modulatory activity in mice bearing MDR human ovarian (2780AD and CH1/DOXr) and SCLC (H69/LX) xenografts[2]. Animal Model: Female Balb/c mice (20-25 g)[2]. Dosage: I.V. Administration: 20 mg/kg at various times (5 min to 24 h). Result: The area under the concentration time curves (AUC) from time 0-∞ for plasma was 11.9 µg. h mL-1. The ratio between AUC for tissue:plasma for liver, heart and brain were 79.6, 16.9 and 0.3 respectively. Animal Model: MDR 2780AD ovarian carcinoma xenografts[2]. Dosage: I.P. Administration: 20, 30, 40 mg/kg daily with Epirubicin i.v. (10 mg/kg). Result: Significantly reduced growth rate of MDR 2780AD ovarian carcinoma xenografts compared with either drug alone.
References	[1]. I L Dale , et al. Reversal of P-glycoprotein-mediated multidrug resistance by XR9051, a novel diketopiperazine derivative. Br J Cancer. 1998 Oct;78(7):885-92. [2]. P Mistry, et al. In vivo efficacy of XR9051, a potent modulator of P-glycoprotein mediated multidrug resistance. Br J Cancer. 1999 Apr;79(11-12):1672-8.

Molecular Formula	C₃₉H₃₉ClN₄O₅
Molecular Weight	679.20
Exact Mass	678.26100
PSA	105.66000
LogP	4.41440

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