A8736

A12B4C3

≥98% (HPLC)

• Synonym(e): 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
• Empirische Formel (Hill-System): C₃₀H₃₈N₄O₅
• CAS-Nummer: 1005129-80-5
• Molekulargewicht: 534.65
• NACRES: NA.77
• PubChem Substance ID: 329771017
• UNSPSC Code: 12352200
• MDL number: MFCD17215976

Eigenschaften

• 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
• SMILES string: CCCCCCCCCCC(O)C1C=CC2C(N1Nc3ccc(cc3)[N+]([O-])=O)C(=O)N(C2=O)c4ccccc4
• InChI key: KVHGJAKTBPFFNV-UHFFFAOYSA-N
• assay: ≥98% (HPLC)
• form: powder
• color: yellow
• solubility: DMSO: ≥20 mg/mL
• storage temp.: 2-8°C
• Quality Level: 100

Beschreibung

Application

A12B4C3 has been used as an inhibitor of polynucleotide kinase/phosphatase to study its effects on prostate cancer (PC-3) cells.[1]

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.[1]

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.

Sicherheitshinweise

• pictograms: GHS06
• signalword: Danger
• hcodes: H301
• pcodes: P264 - P270 - P301 + P310 - P405 - P501
• Hazard Classifications: Acute Tox. 3 Oral
• Lagerklasse: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• wgk: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable