A8736

A12B4C3

≥98% (HPLC)

• 别名: 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
• 经验公式（希尔记法）: C₃₀H₃₈N₄O₅
• CAS号: 1005129-80-5
• 分子量: 534.65
• MDL编号: MFCD17215976
• UNSPSC代码: 12352200
• PubChem化学物质编号: 329771017
• NACRES: NA.77

属性

• 方案: ≥98% (HPLC)
• 表单: powder
• 颜色: yellow
• 溶解性: DMSO: ≥20 mg/mL
• 储存温度: 2-8°C
• SMILES字符串: CCCCCCCCCCC(O)C1C=CC2C(N1Nc3ccc(cc3)[N+]([O-])=O)C(=O)N(C2=O)c4ccccc4
• 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

说明

应用

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

生化/生理作用

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.

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.

安全信息

• 象形图: GHS06
• 警示用语：: Danger
• 危险声明: H301
• 预防措施声明: P264 - P270 - P301 + P310 - P405 - P501
• 危险分类: Acute Tox. 3 Oral
• 储存分类代码: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• WGK: WGK 3
• 闪点(°F): Not applicable
• 闪点(°C): Not applicable