A8736

A12B4C3

≥98% (HPLC)

• 別名: 2-(1-ヒドロキシウンデシル)-1-(4-ニトロフェニルアミノ)-6-フェニル-6,7a-ジヒドロ-1H-ピロロ[3,4-b]ピリジン-5,7(2H,4aH)-ジオン;, 4a,7a-ジヒドロ-2-(1-ヒドロキシウンデシル)-1-[(4-ニトロフェニル)アミノ]-6-フェニル-1H-ピロロ[3,4-b]ピリジン-5,7(2H,6H)-ジオン;
• 実験式（ヒル表記法）: C₃₀H₃₈N₄O₅
• CAS番号: 1005129-80-5
• 分子量: 534.65
• NACRES: NA.77
• PubChem Substance ID: 329771017
• UNSPSC Code: 12352200
• MDL number: MFCD17215976
• Assay: ≥98% (HPLC)
• Form: powder

特性

• assay: ≥98% (HPLC)
• form: powder
• color: yellow
• solubility: DMSO: ≥20 mg/mL
• storage temp.: 2-8°C
• SMILES string: 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

詳細

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

hPNKPホスファターゼの強力かつ特異的なインヒビターです。ヒトA549肺癌細胞やMDA-MB-231乳腺癌細胞の放射線感受性を倍増させます。

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.

安全性情報

• pictograms: GHS06
• signalword: Danger
• hcodes: H301
• pcodes: P264 - P270 - P301 + P310 - P405 - P501
• Hazard Classifications: Acute Tox. 3 Oral
• 保管分類: 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