AZD-9574

CAT: 0931-T9756-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0931-T9756-01Size:1 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, PPAR

Related Pathways

DNA Damage/DNA Repair, Chromatin/Epigenetic, Metabolism

Purity

0.9939

Bioactivity

AZD-9574 is a selective inhibitor of PARP1 at the sites of SSBs. AZD-9574 exhibits anti-cancer activities and can be used in studies about HRD+ breast cancer and advanced solid malignancies.

Smiles

CNC(=O)c1ccc(N2CCN(Cc3ccc4nc(C)c(=O)[nH]c4c3F)CC2)c(F)n1

Molecular Formula

C21H22F2N6O2

Molecular Weight

428.44

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

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 Number	2756333-39-6
PubChem CID	162524593
IUPAC Name	6-fluoro-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
Molecular Formula	C21H22F2N6O2
Molecular Weight	428.4
XLogP	1.2
Topological Polar Surface Area	89.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Heavy Atom Count	31
Formal Charge	0
Complexity	714

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

CAS: 2756333-39-6

CID: 162524593

Formula: C21H22F2N6O2

MW: 428.4

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	428.4
XLogP3	1.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	428.17723029
Monoisotopic Mass	428.17723029
Topological Polar Surface Area	89.9 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	714
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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AZD-9574

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