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AZ9482

CAT: 0013-GTR19157235-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19157235-01Size:200 mg
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Description
AZ9482 is a selective and potent inhibitor of PARP featuring an amide linkage to a 2-piperazinyl-3-cyano-pyridine. AZ9482 exhibits very potent activity of centrosome declustering with EC50 of < 18 nM in HeLa cells.
CAS Number
1825345-33-2
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 125 mg/mL (277.48 mM)
Smiles
O=C1NN=C (CC2=CC=CC (C (N3CCN (C4=NC=CC=C4C#N) CC3) =O) =C2) C5=CC=CC=C51
Molecular Formula
C26H22N6O2
Molecular Weight
450.5
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

2-[4-[3-[(4-Oxidanylidene-3~{h}-Phthalazin-1-Yl)methyl]phenyl]carbonylpiperazin-1-Yl]pyridine-3-Carbonitrile
CAS Number1825345-33-2
PubChem CID92045137
IUPAC Name2-[4-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]pyridine-3-carbonitrile
Molecular FormulaC26H22N6O2
Molecular Weight450.5
XLogP2.6
Topological Polar Surface Area102
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count34
Formal Charge0
Complexity841
SMILES
C1CN(CCN1C2=C(C=CC=N2)C#N)C(=O)C3=CC=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54
InChI
InChI=1S/C26H22N6O2/c27-17-20-7-4-10-28-24(20)31-11-13-32(14-12-31)26(34)19-6-3-5-18(15-19)16-23-21-8-1-2-9-22(21)25(33)30-29-23/h1-10,15H,11-14,16H2,(H,30,33)
InChIKey
ZDDPBFWHZOJFHF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[4-[3-[(4-Oxidanylidene-3~{h}-Phthalazin-1-Yl)methyl]phenyl]carbonylpiperazin-1-Yl]pyridine-3-Carbonitrile
CAS: 1825345-33-2
CID: 92045137
Formula: C26H22N6O2
MW: 450.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight450.5
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass450.18042397
Monoisotopic Mass450.18042397
Topological Polar Surface Area102 Ų
Heavy Atom Count34
Formal Charge0
Complexity841
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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CatalogName
GW4253-10mgAZ9482

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