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AZ0108

CAT: 0931-T70138-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T70138-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1825345-52-5
Target
Others, PARP
Related Pathways
Chromatin/Epigenetic, DNA Damage/DNA Repair, Others
Bioactivity
AZ0108 is an orally bioavailable, potent PARP1,2,6 inhibitor that potently inhibits centrosome clustering and is suitable for in vivo efficacy and tolerability studies. AZ0108 has been utilized as in vitro tools and in vivo probes to investigate the biological consequences of inhibiting centrosome clustering through PARP enzymes. AZ0108 is more selective in its enzyme inhibition profile and effects on cellular pathways and phenotypes. Specifically, AZ0108 inhibits PARPs 1, 2, and 6 with approximately 100-fold selectivity against PARP3 and TNKS1. Consistent with this lack of potencytowards tankyrase, AZ0108 is not active in a DLD-1 Wnt luciferase reporter assay.
Smiles
C(C)(F)(F)C=1N2C(CN(C(=O)C3=CC(C(F)(F)C=4C=5C(C(=O)NN4)=CC=CC5)=CC=C3)[C@@H](C)C2)=NN1
Molecular Formula
C24H20F4N6O2
Molecular Weight
500.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

AZ0108

an orally bioavailable PARP inhibitor that blocks centrosome clustering; structure in first source

CAS Number1825345-52-5
PubChem CID122423373
IUPAC Name4-[[3-[(6S)-3-(1,1-difluoroethyl)-6-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]-difluoromethyl]-2H-phthalazin-1-one
Molecular FormulaC24H20F4N6O2
Molecular Weight500.4
XLogP2.8
Topological Polar Surface Area92.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count36
Formal Charge0
Complexity917
SMILES
C[C@H]1CN2C(=NN=C2C(C)(F)F)CN1C(=O)C3=CC(=CC=C3)C(C4=NNC(=O)C5=CC=CC=C54)(F)F
InChI
InChI=1S/C24H20F4N6O2/c1-13-11-34-18(29-32-22(34)23(2,25)26)12-33(13)21(36)14-6-5-7-15(10-14)24(27,28)19-16-8-3-4-9-17(16)20(35)31-30-19/h3-10,13H,11-12H2,1-2H3,(H,31,35)/t13-/m0/s1
InChIKey
NWGMIELHSCQGOG-ZDUSSCGKSA-N
Chemical Structure
2D Structure
2D structure of AZ0108
CAS: 1825345-52-5
CID: 122423373
Formula: C24H20F4N6O2
MW: 500.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight500.4
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass500.15838655
Monoisotopic Mass500.15838655
Topological Polar Surface Area92.5 Ų
Heavy Atom Count36
Formal Charge0
Complexity917
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5812680AZ0108

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