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ChemicalBook--->CAS DataBase List--->1005129-80-5

1005129-80-5

1005129-80-5 Structure

1005129-80-5 Structure
IdentificationBack Directory
[Name]

4a,7a-Dihydro-2-(1-hydroxyundecyl)-1-[(4-nitrophenyl)amino]-6-phenyl-1H-pyrrolo[3,4-b]pyridine-5,7(2H,6H)-dione
[CAS]

1005129-80-5
[Synonyms]

A12B4C3
A12B4C3,A-12B4C3
A12B4C3 >=98% (HPLC)
PNKP Inhibitor (A12B4C3)
2-(1-Hydroxyundecyl)-1-(4-nitrophenylamino)-6-phenyl-6,7a-dihydro-1H-pyrrolo[3,4-b]pyridine-5,7(2H,4aH)-dione
4a,7a-Dihydro-2-(1-hydroxyundecyl)-1-[(4-nitrophenyl)amino]-6-phenyl-1H-pyrrolo[3,4-b]pyridine-5,7(2H,6H)-dione
1H-Pyrrolo[3,4-b]pyridine-5,7(2H,6H)-dione, 4a,7a-dihydro-2-(1-hydroxyundecyl)-1-[(4-nitrophenyl)amino]-6-phenyl-
[Molecular Formula]

C30H38N4O5
[MDL Number]

MFCD17215976
[MOL File]

1005129-80-5.mol
[Molecular Weight]

534.65
Chemical PropertiesBack Directory
[Boiling point ]

732.0±70.0 °C(Predicted)
[density ]

1.238±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

DMSO: ≥20mg/mL
[form ]

powder
[pka]

14.32±0.20(Predicted)
[color ]

yellow
Safety DataBack Directory
[Hazard Codes ]

T
[Risk Statements ]

25
[Safety Statements ]

45
[RIDADR ]

UN 2811 6.1 / PGIII
Hazard InformationBack Directory
[Uses]

A12B4C3 is a small molecule inhibitor of human DNA repair enzyme polynucleotide kinase/phosphatase for use as a radiosensitizer.
[Biological Activity]

2-(1-hydroxyundecyl)-1- (4-nitrophenylamino)-6-phenyl-6,7a-dihydro-1Hpyrrolo [3,4-b]pyridine-5,7(2H,4aH)-dione (A12B4C3) is a polysubstituted piperidineth at is capable of altering the secondary structure of polynucleotide kinase 3μ-phosphatase (PNKP). It functions as an allosterically regulated noncompetitive inhibitor of human PNKP phosphatase activity.''A12B4C3 is a potent and specific hPNKP phosphatase inhibitor. A12B4C3 doubles the radiosensitivity of human A549 lung carcinoma and MDA-MB-231 breast adenocarcinoma cells.
[storage]

Store at +4°C
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