| Identification | Back 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 Properties | Back 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 | [InChIKey]
KVHGJAKTBPFFNV-UHFFFAOYSA-N | [SMILES]
CCCCCCCCCCC(O)C1C=CC2C(N1Nc3ccc(cc3)[N+]([O-])=O)C(=O)N(C2=O)c4ccccc4 |
| Safety Data | Back Directory | [Hazard Codes ]
T | [Risk Statements ]
25 | [Safety Statements ]
45 | [RIDADR ]
UN 2811 6.1 / PGIII | [WGK Germany ]
WGK 3 | [Storage Class]
6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | [Hazard Classifications]
Acute Tox. 3 Oral |
| Hazard Information | Back 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 |
|
| Company Name: |
BOC Sciences
|
| Tel: |
1-631-485-4226; 16314854226 |
| Website: |
https://www.bocsci.com |
| Company Name: |
Energy Chemical
|
| Tel: |
021-58432009 400-005-6266 |
| Website: |
http://www.energy-chemical.com |
| Company Name: |
Merck KGaA
|
| Tel: |
21-20338288 |
| Website: |
www.sigmaaldrich.cn |
|