Synonym: 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
CAS Number: 1005129-80-5
Empirical Formula (Hill Notation): C30H38N4O5
Molecular Weight: 534.65
MDL Number: MFCD17215976
Linear Formula: C30H38N4O5
Product Type: Chemical
| assay |
≥98% (HPLC) |
| color |
yellow |
| form |
powder |
| InChI |
1S/C30H38N4O5/c1-2-3-4-5-6-7-8-12-15-27(35)26-21-20-25-28(30(37)32(29(25)36)23-13-10-9-11-14-23)33(26)31-22-16-18-24(19-17-22)34(38)39/h9-11,13-14,16-21,25-28,31,35H,2-8,12,15H2,1H3 |
| InChI key |
KVHGJAKTBPFFNV-UHFFFAOYSA-N |
| Quality Level |
100  |
| SMILES string |
CCCCCCCCCCC(O)C1C=CC2C(N1Nc3ccc(cc3)[N+]([O-])=O)C(=O)N(C2=O)c4ccccc4 |
| solubility |
DMSO: ≥20 mg/mL |
| storage temp. |
2-8°C |
| Application: |
A12B4C3 has been used as an inhibitor of polynucleotide kinase/phosphatase to study its effects on prostate cancer (PC-3) cells. |
| Biochem/physiol Actions: |
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 piperidine, that is capable of altering the secondary structure of polynucleotide kinase 3′-phosphatase (PNKP). It functions as an allosterically regulated noncompetitive inhibitor of human PNKP phosphatase activity. |
| Biochem/physiol Actions: |
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. |
| Packaging: |
5, 25 mg in glass bottle |
| Symbol |
 GHS06 |
| Signal word |
Danger |
| Hazard statements |
H301 |
| Precautionary statements |
P301 + P310 |
| Hazard Codes |
T |
| Risk Statements |
25 |
| Safety Statements |
45 |
| RIDADR |
UN 2811 6.1 / PGIII |
| Flash Point(F) |
Not applicable |
| Flash Point(C) |
Not applicable |
| Purity |
≥98% (HPLC) |
| Storage Temp. |
2-8°C |
| UNSPSC |
12352200 |
