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Rucaparib phosphate

Name: Rucaparib phosphate
Brand: Selleck Chemicals
SKU: S1098
Rating: 5 (133 reviews)

Synonyms: AG-014699 phosphate, PF-01367338 phosphate

Catalog No.S1098 Purity:99.89%

Rucaparib phosphate is an inhibitor of PARP with K_i of 1.4 nM for PARP1 in a cell-free assay, also showing binding affinity to eight other PARP domains. Phase 3.

Rucaparib phosphate Chemical Structure

CAS No. 459868-92-9

Purity & Quality Control

Batch: Purity: 99.89%

99.89

Rucaparib phosphate Related Products

Related Targets	PARP1 PARP2 PARP3 Tankyrase-1 Tankyrase-2 PARP14 PARP7 TNKS1 TNKS2	Click to Expand
Related Products	XAV-939 Veliparib (ABT-888) PJ34 HCl AG-14361 Iniparib (BSI-201) A-966492 G007-LK UPF 1069 AZD2461 Pamiparib ME0328 3-Aminobenzamide NMS-P118 Stenoparib (E7449) NVP-TNKS656 WIKI4 Benzamide BGP-15 2HCl NU1025 BYK204165 Fluzoparib (SHR-3162) Picolinamide	Click to Expand
Related Compound Libraries	FDA-approved Drug Library Natural Product Library Apoptosis Compound Library DNA Damage/DNA Repair compound Library Cell Cycle compound library	Click to Expand

Signaling Pathway

PARP Signaling Pathway

Cell Data

Cell Lines	Assay Type	Concentration	Incubation Time	Formulation	Activity Description	PMID
BT-474	Function Assay	0.1/1/500/1000 nM			inhibits PARP activity at starting concerntration of 500 nM	25128455
BT474	Growth Inhibition Assay	500 nM	10–15 d		reduces cell growth in the four lines and significantly	25128455
SKBR3	Growth Inhibition Assay	500 nM	10–15 d		reduces cell growth in the four lines and significantly	25128455
AU565	Growth Inhibition Assay	500 nM	10–15 d		reduces cell growth in the four lines and significantly	25128455
EFM192A	Growth Inhibition Assay	500 nM	10–15 d		reduces cell growth in the four lines and significantly	25128455
MDA-MB-231	Function Assay	10/20/40 μM	24 h		increases p-AKT levels in a dose-dependent manner	24420152
MDA-MB-231	Cell Viability Assay	0.1-40 μM	24 h		IC50 = 17.77 μM	24420152
MDA-MB-231	Apoptosis Assay	10/20/40 μM	24 h		induces apoptosis dose dependently	24420152
MDA-MB-231	Growth Inhibition Assay	10/20/40 μM	24 h		blocks cell cycle progression in G2/M phase	24420152
H460	Growth Inhibition Assay	400 nM	24 h		increases cellular radiosensitivity	24411611
A549	Growth Inhibition Assay	400 nM	24 h		increases cellular radiosensitivity	24411611
DT40	Growth Inhibition Assay				IC50=21 nM	24356813
DU145	Growth Inhibition Assay				IC50=18 nM	24356813
COLO704	Growth Inhibition Assay				IC50=2.52 ± 0.67 μM	23729402
OVMANAb	Growth Inhibition Assay				IC50=2.58 ± 0.38 μM	23729402
OV177	Growth Inhibition Assay				IC50=2.78 ± 0.71 μM	23729402
OAW28	Growth Inhibition Assay				IC50=3.61 ± 0.28 μM	23729402
OVSAHO	Growth Inhibition Assay				IC50=3.64 ± 0.33 μM	23729402
OVKATE	Growth Inhibition Assay				IC50=3.64 ± 1.79 μM	23729402
OVCAR3	Growth Inhibition Assay				IC50=3.74 ± 0.40 μM	23729402
PEO14	Growth Inhibition Assay				IC50=3.84 ± 0.76 μM	23729402
A2780	Growth Inhibition Assay				IC50=3.94 ± 0.25 μM	23729402
OVTOKO	Growth Inhibition Assay				IC50=4.14 ± 1.53 μM	23729402
KURAMOCHIb	Growth Inhibition Assay				IC50=4.34 ± 0.29 μM	23729402
TOV21G	Growth Inhibition Assay				IC50=5.07 ± 1.30 μM	23729402
OVISE	Growth Inhibition Assay				IC50=5.68 ± 0.23 μM	23729402
KK	Growth Inhibition Assay				IC50=6.15 ± 1.42 μM	23729402
RMUGS	Growth Inhibition Assay				IC50=7.03 ± 1.83 μM	23729402
PEO6	Growth Inhibition Assay				IC50=7.06 ± 0.74 μM	23729402
OVCA429	Growth Inhibition Assay				IC50=8.29 ± 1.64 μM	23729402
OV167	Growth Inhibition Assay				IC50=8.33 ± 1.18 μM	23729402
RMG1	Growth Inhibition Assay				IC50=9.32 ± 2.36 μM	23729402
OVCAR5	Growth Inhibition Assay				IC50=9.50 ± 2.59 μM	23729402
EFO21	Growth Inhibition Assay				IC50=9.92 ± 1.87 μM	23729402
ES2	Growth Inhibition Assay				IC50=10.12 ± 1.23 μM	23729402
Tyk-nu	Growth Inhibition Assay				IC50=10.20 ± 1.12 μM	23729402
CAOV3	Growth Inhibition Assay				IC50=10.37 ± 0.87 μM	23729402
OV207	Growth Inhibition Assay				IC50=12.27 ± 0.32 μM	23729402
HEY	Growth Inhibition Assay				IC50=13.01 ± 0.75 μM	23729402
DOV13	Growth Inhibition Assay				IC50>15 μM	23729402
EFO27	Growth Inhibition Assay				IC50>15 μM	23729402
HEY C2	Growth Inhibition Assay				IC50>15 μM	23729402
KOC-7cc	Growth Inhibition Assay				IC50>15 μM	23729402
MCASb	Growth Inhibition Assay				IC50>15 μM	23729402
OAW42	Growth Inhibition Assay				IC50>15 μM	23729402
OV2008	Growth Inhibition Assay				IC50>15 μM	23729402
OV90	Growth Inhibition Assay				IC50>15 μM	23729402
OVCA420b	Growth Inhibition Assay				IC50>15 μM	23729402
OVCA432	Growth Inhibition Assay				IC50>15 μM	23729402
PEA2	Growth Inhibition Assay				IC50>15 μM	23729402
SKOV3	Growth Inhibition Assay				IC50>15 μM	23729402
TOV112D	Growth Inhibition Assay	0-3 μM			IC50>15 μM	23729402
C4-2	Growth Inhibition Assay	0-3 μM	14 d	DMSO	decreases colony number dose dependently	23565244
PC3	Growth Inhibition Assay	0-3 μM	14 d	DMSO	decreases colony number dose dependently	23565244
DU145	Growth Inhibition Assay	0-3 μM	14 d	DMSO	decreases colony number dose dependently	23565244
VCaP	Growth Inhibition Assay	0-3 μM	14 d	DMSO	decreases colony number dose dependently	23565244
LNCaP	Growth Inhibition Assay	0-3 μM	14 d	DMSO	decreases colony number dose dependently	23565244
MDA-MB-468	Cell Viability Assay				IC50=9.7 μM	22678161
MDA-MB-231	Cell Viability Assay				IC50=13 μM	22678161
Cal-51	Cell Viability Assay				IC50=8.6 μM	22678161
LoVo	Function assay		30 mins		Inhibition of PARP in human LoVo cells assessed as inhibition of poly(ADP)-ribose polymerization for 30 mins by fluorescence assay, EC50 = 0.00469 μM.	26652717
MX1	Cytotoxicity assay				Cytotoxicity against BRCA1-deficient human MX1 cells, EC50 = 0.0053 μM.	26652717
Rosetta2 (DE3)	Function assay				Inhibition of human N-terminal 6xhis-tagged ARTD6 (873 to 1161) expressed in Escherichia coli Rosetta2 (DE3) cells using NAD+ as substrate by fluorescence assay, IC50 = 0.014 μM.	24900770
Rosetta2 (DE3)	Function assay				Inhibition of human 6xhis-tagged ARTD5 (1030 to 1317) expressed in Escherichia coli Rosetta2 (DE3) cells using NAD+ as substrate by fluorescence assay, IC50 = 0.025 μM.	24900770
LoVo	Cytotoxicity assay	0.4 uM	5 days		Potentiation of temozolomide-induced cytotoxicity in human LoVo cells assessed as temozolomide GI50 at 0.4 uM after 5 days by Celltiter-Glo assay, GI50 = 0.144 μM.	26652717
Capan1	Cytotoxicity assay				Cytotoxicity against BRCA2-deficient human Capan1 cells, EC50 = 0.609 μM.	26652717
MDA-MB-436	Anticancer assay		96 hrs		Anticancer activity against human BRCA1-deficient MDA-MB-436 cells after 96 hrs by MTT assay, CC50 = 3 μM.	26342868
OVCAR3	Antiproliferative assay		24 hrs		Antiproliferative activity against human OVCAR3 cells after 24 hrs by MTT assay, IC50 = 3.31 μM.	29456106
MRC5	Cytotoxicity assay				Cytotoxicity against human MRC5 cells, EC50 = 8.53 μM.	26652717
MCF7	Anticancer assay		96 hrs		Anticancer activity against human MCF7 cells after 96 hrs by MTT assay, CC50 = 19.47 μM.	26342868
A673	qHTS assay				qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for A673 cells	29435139
A673	qHTS assay				qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for A673 cells)	29435139
Rh41	qHTS assay				qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for Rh41 cells	29435139
SK-N-MC	qHTS assay				qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for SK-N-MC cells	29435139
TC32	qHTS assay				qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for TC32 cells	29435139
Click to View More Cell Line Experimental Data

Biological Activity

Description

Rucaparib phosphate is an inhibitor of PARP with K_i of 1.4 nM for PARP1 in a cell-free assay, also showing binding affinity to eight other PARP domains. Phase 3.

Features

The first PARP inhibitor used in clinical trials combined with temozolomide.

Targets

PARP ^[1]
(Cell-free assay)

1.4 nM(Ki)

In vitro
In vitro	Rucaparib is a potent inhibitor of purified full-length human PARP-1 and shows higher inhibition of cellular PARP in LoVo and SW620 cells. Besides, Rucaparib binds detectably to eight other PARP domains, including PARP2, 3, 4, 10, 15, 16, TNKS1 and TNKS2. ^[1] ^[2] The radio-sensitization by Rucaparib is due to downstream inhibition of activation of NF-κB, and is independent of SSB repair inhibition. Rucaparib could target NF-κB activated by DNA damage and overcome toxicity observed with classical NF-κB inhibitors without compromising other vital inflammatory functions. ^[3] Rucaparib inhibits PARP-1 activity by 97.1% at a concentration of 1 μM in permeabilised D283Med cells. ^[4]
Kinase Assay	K_i Determination
Kinase Assay	Inhibition of human full-length recombinant PARP-1 by [³²P]NAD⁺ incorporation is measured. The [³²P]ADP-ribose incorporated into acid insoluble material is quantified using a PhosphorImager. K_i is calculated by nonlinear regression analysis.
Cell Research	Cell lines	D425Med, D283Med and D384Med cells
	Concentrations	0.4 μM
	Incubation Time	3 or 5 days
	Method	Medulloblastoma cell lines are seeded in 96-well plates at a density of 1 × 10³, 3 × 10³ and 3 × 10³, respectively. At 24 hours (D384Med) or 48 hours (D283Med and D425Med) after seeding, the cells are exposed to various concentrations of temozolomide in the presence or absence of 0.4 μM Rucaparib. After 3 days (D425Med and D384Med) or 5 days (D283Med) of culture, cell viability is evaluated by a XTT cell proliferation kit assay. Cell growth is expressed as a percentage in relation to DMSO or 0.4 μM Rucaparib-alone controls. The concentration of temozolomide, alone or in combination with Rucaparib that inhibited growth by 50% (GI50) is calculated. The potentiation factor 50 (PF50) is defined as the ratio of the GI50 of temozolomide in the presence of Rucaparib to the GI50 of temozolomide alone.
Experimental Result Images	Methods	Biomarkers	Images	PMID
	Western blot	PAR BRCA1		27960087
	Growth inhibition assay	Cell viability		31119062
	Immunofluorescence	α-tubulin PAR γH2AX 53BP1		30589644

In Vivo
In vivo	Rucaparib is not toxic but significantly enhances temozolomide-induced TGD in the DNA repair protein-competent D384Med xenografts. Pharmacokinetics studies also show that Rucaparib is detected in the brain tissue, which indicates that Rucaparib has potential in intra-cranial malignancy therapy. ^[4] Rucaparib significantly potentiates the cytotoxicity of topotecan and temozolomide in NB-1691, SH-SY-5Y, and SKNBE (2c) cells. Rucaparib enhances the antitumor activity of temozolomide and indicates complete and sustained tumor regression in NB1691 and SHSY5Y xenografts. ^[5]
Animal Research	Animal Models	CD-1 nude mice bearing established D283Med xenografts
	Dosages	1 mg/kg
	Administration	One or four daily by i.p.

NCT Number	Recruitment	Conditions	Sponsor/Collaborators	Start Date	Phases
Clinical Trial Information (data from https://clinicaltrials.gov, updated on 2024-05-22)
NCT04539327	Completed	Epithelial Ovarian Cancer\|Fallopian Tube Cancer\|Primary Peritoneal Cancer	Grupo Español de Investigación en Cáncer de Ovario\|Clovis Oncology Inc.	July 29 2020	--
NCT04209595	Active not recruiting	Small Cell Lung Cancer\|Extra-Pulmonary Small Cell Carcinomas	National Cancer Institute (NCI)\|National Institutes of Health Clinical Center (CC)	April 8 2020	Phase 1\|Phase 2
NCT04179396	Completed	Metastatic Castration Resistant Prostate Cancer	pharmaand GmbH	December 5 2019	Phase 1
NCT03824704	Terminated	Epithelial Ovarian Cancer\|Fallopian Tube Cancer\|Primary Peritoneal Carcinoma\|High Grade Serous Carcinoma\|Endometrioid Adenocarcinoma	pharmaand GmbH\|Bristol-Myers Squibb\|Foundation Medicine	August 23 2019	Phase 2
NCT03840200	Completed	Breast Cancer\|Prostate Cancer\|Ovarian Cancer	Hoffmann-La Roche	June 12 2019	Phase 1

References

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Chemical Information & Solubility

Molecular Weight	421.36	Formula	C₁₉H₁₈FN₃O.H₃PO₄
CAS No.	459868-92-9	SDF	Download Rucaparib phosphate SDF
Smiles	CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2.OP(=O)(O)O
Storage (From the date of receipt)	3 years-20°Cpowder	Storage of Stock Solutions Aliquot the stock solutions to avoid repeated freeze-thaw cycles	1 year-80°Cin solvent
Storage (From the date of receipt)	3 years-20°Cpowder		1 month-20°Cin solvent

In vitro
Batch:

DMSO : 85 mg/mL ( (201.72 mM) Moisture-absorbing DMSO reduces solubility. Please use fresh DMSO.)

Water : 7 mg/mL

Ethanol : Insoluble

Molecular Weight Calculator

In vivo Batch: Add solvents to the product individually and in order.				In vivo Formulation Calculator
Clear solution	saline	7.000mg/ml (16.61mM)	Taking the 1 mL working solution as an example, add 7 mg of this product to 1 ml of physiological saline (0.9% NaCL solution), mix evenly to make it clear, The mixed solution should be used immediately for optimal results.
Homogeneous suspension	CMC-NA	≥5mg/ml	Taking the 1 mL working solution as an example, add 5 mg of this product to 1 ml of CMC-Na solution, mix evenly to obtain a homogeneous suspension with a final concentration of 5 mg/ml.
Homogeneous suspension	CMC-NA	≥5mg/ml	Taking the 1 mL working solution as an example, add 5 mg of this product to 1 ml of CMC-Na solution, mix evenly to obtain a homogeneous suspension with a final concentration of 5 mg/ml.
Clear solution	saline	2.000mg/ml (4.75mM)	Taking the 1 mL working solution as an example, add 2 mg of this product to 1 ml of physiological saline (0.9% NaCL solution), mix evenly to make it clear, The mixed solution should be used immediately for optimal results.
Homogeneous suspension	CMC-NA	≥5mg/ml	Taking the 1 mL working solution as an example, add 5 mg of this product to 1 ml of CMC-Na solution, mix evenly to obtain a homogeneous suspension with a final concentration of 5 mg/ml.
Clear solution	saline	2.000mg/ml (4.75mM)	Taking the 1 mL working solution as an example, add 2 mg of this product to 1 ml of physiological saline (0.9% NaCL solution), mix evenly to make it clear, The mixed solution should be used immediately for optimal results.
Homogeneous suspension	CMC-NA	≥5mg/ml	Taking the 1 mL working solution as an example, add 5 mg of this product to 1 ml of CMC-Na solution, mix evenly to obtain a homogeneous suspension with a final concentration of 5 mg/ml.
Clear solution	saline	6.000mg/ml (14.24mM)	Taking the 1 mL working solution as an example, add 6 mg of this product to 1 ml of physiological saline (0.9% NaCL solution), mix evenly to make it clear, The mixed solution should be used immediately for optimal results.
Homogeneous suspension	CMC-NA	≥5mg/ml	Taking the 1 mL working solution as an example, add 5 mg of this product to 1 ml of CMC-Na solution, mix evenly to obtain a homogeneous suspension with a final concentration of 5 mg/ml.

Preparing Stock Solutions

Molarity Calculator

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Dilution Calculator Molecular Weight Calculator

In vivo Formulation Calculator (Clear solution)

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Method for preparing DMSO master liquid: mg drug pre-dissolved in μL DMSO ( Master liquid concentration mg/mL, Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug. )

Method for preparing in vivo formulation: Take μL DMSO master liquid, next addμL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH₂O, mix and clarify.

Method for preparing in vivo formulation: Take μL DMSO master liquid, next add μL Corn oil, mix and clarify.

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Tech Support

Answers to questions you may have can be found in the inhibitor handling instructions. Topics include how to prepare stock solutions, how to store inhibitors, and issues that need special attention for cell-based assays and animal experiments.

Handling Instructions

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