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AZD9574

CAT: 0957-E2147-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0957-E2147-5mgSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2756333-39-6
Target
PARP
Applications
DNA Damage/DNA Repair
Smiles
CNC (=O) C1=NC (=C (C=C1) N2CCN (CC2) CC3=CC=C4N=C (C) C (=O) NC4=C3F) F
Molecular Formula
C21H22F2N6O2
Additionnal Information
AZD9574 is a novel PARP inhibitor which combines PARP1 selectivity, trapping and high CNS penetration in a single molecule.
Storage Conditions
3 years -20°C powder

Chemical Information

Azd9574

Palacaparib is an orally bioavailable central nervous system (CNS) penetrant and inhibitor of nuclear enzyme poly(ADP-ribose) polymerase (PARP) 1, with potential antineoplastic activity. Upon oral administration, palacaparib selectively binds to PARP1, thereby preventing repair of damaged DNA via the base excision repair (BER) pathway. This agent enhances the accumulation of DNA strand breaks and promotes genomic instability eventually leading to apoptosis. Palacaparib may enhance the cytotoxicity of DNA-damaging agents and reverse tumor cell chemo- and radioresistance. PARP1 catalyzes post-translational ADP-ribosylation of nuclear proteins that signal and recruit other proteins to repair damaged DNA and plays a key role in the repair of single strand DNA (ssDNA) breaks and double-strand break (DSBs). Palacaparib is able to penetrate the blood-brain barrier (BBB).

CAS Number2756333-39-6
PubChem CID162524593
IUPAC Name6-fluoro-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
Molecular FormulaC21H22F2N6O2
Molecular Weight428.4
XLogP1.2
Topological Polar Surface Area89.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity714
SMILES
CC1=NC2=C(C(=C(C=C2)CN3CCN(CC3)C4=C(N=C(C=C4)C(=O)NC)F)F)NC1=O
InChI
InChI=1S/C21H22F2N6O2/c1-12-20(30)27-18-14(25-12)4-3-13(17(18)22)11-28-7-9-29(10-8-28)16-6-5-15(21(31)24-2)26-19(16)23/h3-6H,7-11H2,1-2H3,(H,24,31)(H,27,30)
InChIKey
WXRCLFFPZXJCLS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Azd9574
CAS: 2756333-39-6
CID: 162524593
Formula: C21H22F2N6O2
MW: 428.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight428.4
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass428.17723029
Monoisotopic Mass428.17723029
Topological Polar Surface Area89.9 Ų
Heavy Atom Count31
Formal Charge0
Complexity714
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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