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A12B4C3

SIGMA/A8736 - ≥98% (HPLC)

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
Catalog Number PKG Qty. Price Quantity
45-A8736-5MG 5 mg
 $206.00
1/EA		 Add To Favorites
45-A8736-25MG 25 mg
 $608.00
1/EA		 Add To Favorites
This picture is provided solely for illustration purposes, it may have been created or edited with AI. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material.
This image depicts A8736-5MG.

 

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  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

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