AG-014699 phosphate

Alternative_name

8-Fluoro-2-(4-((methylamino)methyl)phenyl)-4,5-dihydro-1H-azepino[5,4,3-cd]indol-6(3H)-one phosphate; Rucaparib; PF-01367338
Description

AG-014699 phosphate is a potent, cell-permeable inhibitor of PARP1 with Ki of 1.4 nM. It selectively binds to PARP 1 and inhibits the PARP1-mediated DNA repair, thus potentiating the genomic instability and apoptosis. Displays antineoplastic activity.
CAS Number

459868-92-9
Structure Available

Yes
Salt Form

No
Molecular Formula

C₁₉H₂₁FN₃O₅P
Molecular Weight

421.36
Cell Permeable

yes
Purity

≥98% by HPLC
Solubilities

DMSO (~20 mg/ml)
Handling

Protect from air and moisture
Tag Line

A potent PARP1 inhibitor
Storage Condition

-20°C
Shipping Condition

gel pack
Shelf Life

36 months
PubChem CID

9931953
PubChem CID Link
SMILES

CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=CC(=CC(=C34)N2)F.OP(=O)(O)O
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)
InChi Key

FCCGJTKEKXUBFZ-UHFFFAOYSA-N
Data Sheet Link
MSDS Available

Yes