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Screening compounds

Rucaparib phosphate

Also known as PARP-1 inhibitor AG014699, PARP1 Inhibitor PF-01367338, AG 014699

CAS 459868-92-9Formula C19H21FN3O5PMolar mass 421.37 g/molEC 813-337-0
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Rucaparib phosphate chemical structure, C19H21FN3O5P, CAS 459868-92-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
459868-92-9
Formula
C19H21FN3O5P
Molar mass
421.37 g/mol
EC number
813-337-0
HS code
293379
Category
Screening compounds

What is Rucaparib phosphate?

Plain description, key identifiers and synonyms

Rucaparib Phosphate is the phosphate salt form of rucaparib, an orally bioavailable tricyclic indole and inhibitor of poly(ADP-ribose) polymerases (PARPs) 1 (PARP1), 2 (PARP2) and 3 (PARP3), with potential chemo/radiosensitizing and antineoplastic activities. Upon administration, rucaparib selectively binds to PARP1, 2 and 3 and inhibits PARP-mediated DNA repair. This enhances the accumulation of DNA strand breaks, promotes genomic instability and induces cell cycle arrest and apoptosis. This may enhance the cytotoxicity of DNA-damaging agents and reverse tumor cell resistance to chemotherapy and radiation therapy. PARPs are enzymes activated by single-strand DNA breaks that catalyze the post-translational ADP-ribosylation of nuclear proteins, which induces signaling and the recruitment of other proteins to repair damaged DNA. The PARP-mediated repair pathway plays a key role in DNA repair and is dysregulated in a variety of cancer cell types.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
6-fluoro-2-[4-(methylaminomethyl)phenyl]-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one, phosphoric acid
CAS number
459868-92-9
EC number
813-337-0
Molecular formula
C19H21FN3O5P
UNII
H3M9955244
MDL number
MFCD17010269
InChIKey
FCCGJTKEKXUBFZ-UHFFFAOYSA-N
InChI
InChI=1S/C19H18FN3O.H3O4P/c1-21-10-11-2-4-12(5-3-11)18-14-6-7-22-19(24)15-8-13(20)9-16(23-18)17(14)15;1-5(2,3)4/h2-5,8-9,21,23H,6-7,10H2,1H3,(H,22,24);(H3,1,2,3,4)
SMILES (canonical and isomeric)
CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2.OP(=O)(O)O

Synonyms

  • PARP-1 inhibitor AG014699
  • PARP1 Inhibitor PF-01367338
  • AG 014699
  • Rucaparib (AG-014699,PF-01367338)
  • Rucaparib (phosphate)
  • 8-Fluoro-2-(4-((methylamino)methyl)phenyl)-4,5-dihydro-1H-azepino[5,4,3-cd]indol-6(3H)-one phosphate
  • 6H-Pyrrolo[4,3,2-ef][2]benzazepin-6-one, 8-fluoro-1,3,4,5-tetrahydro-2-[4-[(methylamino)methyl]phenyl]-, phosphate (1:1)
  • Rucaparib (AG-014699) phosphate
  • 6-fluoro-2-[4-(methylaminomethyl)phenyl]-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one, phosphoric acid
  • AG 14699
  • Rucaparib phosphate (USAN)
  • Rucaparib (free base)
  • 8-fluoro-2-(4-methylaminomethyl-phenyl)-1,3,4,5-tetrahydro-azepino[5,4,3-cd]indol-6-one phosphate
  • 8-fluoro-5-(4-((methylamino)methyl)phenyl)-2,3,4,6-tetrahydro-1H-azepino[5,4,3-cd]indol-1-one phosphate
  • 459868-92-9 (phosphate)
  • 6H-Pyrrolo(4,3,2-ef)(2)benzazepin-6-one, 8-fluoro-1,3,4,5-tetrahydro-2-(4-((methylamino)methyl)phenyl)-, phosphate (1:1)
  • 8-Fluoro-1,3,4,5-tetrahydro-2-[4-[(methylamino)methyl]phenyl]-6H-pyrrolo[4,3,2-ef][2]benzazepin-6-one Phosphate, AG 014699, Rucaparib, PF-01367338
  • 8-Fluoro-1,3,4,5-tetrahydro-2-[4-[(methylamino)methyl]phenyl]-6H-pyrrolo[4,3,2-ef][2]benzazepin-6-one
  • Rucaparib phosphate, 98%
  • Rucaparib phosphate (ag-014699)
  • AG-014699,PF-01367338, Rucaparib
  • PF 01367338
  • Rucaparib (AG-014699, PF-01367338)
  • Rucaparib phosphate (AG-14699, PF-01367338)?
  • 6H-Azepino(5,4,3-cd)indol-6-one, 8-fluoro-1,3,4,5-tetrahydro-2-(4((methylamino)methyl)phenyl)-, phosphate (1:1)
Show all 28 synonyms
  • 8-Fluoro-2-(4-((methylamino)methyl)phenyl)-4,5-dihydro-1H-azepino[5,4,3-cd]indol-6(3H)-onephosphate
  • 8-Fluoro-2-{4-[(methylamino)methyl]phenyl}-1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indol-6-one phosphate
  • 8-Fluoro-2-{4-[(methylamino)methyl]phenyl}-1,3,4,5-tetrahydro-6H-pyrrolo[4,3,2-ef][2]benzazepin-6-one phosphate (1:1)

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
421.37 g/molcalc.
Exact mass
421.1203 Dacalc.
LogP (octanol/water)
2.05calc.
Topological polar surface area
134.7 Ųcalc.
Hydrogen bond donors
6calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
3calc.
Heavy atoms
29calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.21calc.
Formal charge
0calc.
Stereocentres
0calc.
Components
2calc.
Lipinski rule of five
Passes (1 violation)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C1NCCc2c(-c3ccccc3)[nH]c3cccc1c23

O=C1NCCc2c(-c3ccccc3)[nH]c3cccc1c23

4 rings, 20 atoms, the 2-Phenyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one ring system.

12 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Rucaparib phosphate suppliers

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All 24 suppliers
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Where suppliers are based

24 suppliers in 4 countries

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Rucaparib phosphate price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Roles

  • antineoplastic agent
  • pharmaceutical

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Rucaparib phosphate is traded under.

HS 2933.79Indicative HS code

Lactams, other lactams

World exports in 2024
$16.2B
−64.4% vs 2023, imports $15.4B
2019 to 2024
Top exporters
  1. Ireland37.0%
  2. France * partner reported15.6%
  3. Spain11.3%
Top importers
  1. Germany27.8%
  2. Ireland18.9%
  3. Panama * partner reported12.9%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Rucaparib phosphate is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Rucaparib phosphate, based on the data on this page

What is Rucaparib phosphate?

Rucaparib Phosphate is the phosphate salt form of rucaparib, an orally bioavailable tricyclic indole and inhibitor of poly(ADP-ribose) polymerases (PARPs) 1 (PARP1), 2 (PARP2) and 3 (PARP3), with potential chemo/radiosensitizing and antineoplastic activities.

What is the CAS number of Rucaparib phosphate?

The CAS registry number of Rucaparib phosphate is 459868-92-9.

What is the molecular formula and weight of Rucaparib phosphate?

The molecular formula of Rucaparib phosphate is C19H21FN3O5P and its molar mass is 421.37 g/mol.

What is Rucaparib phosphate used for?

Known uses and roles of Rucaparib phosphate include building blocks in research and laboratory, screening compounds in research and laboratory, antineoplastic agent and pharmaceutical.

Is Rucaparib phosphate hazardous?

No GHS hazard classification for Rucaparib phosphate is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Rucaparib phosphate?

Rucaparib phosphate is usually classified under HS code 293379 (Lactams, other lactams). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Rucaparib phosphate?

CompoundList lists 24 suppliers of Rucaparib phosphate in China, United States, Canada and Germany. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Rucaparib phosphate?

Suppliers quote Rucaparib phosphate on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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