A12B4C3

Name: A12B4C3
CAS#: 1005129-80-5
Chemical Formula: C30H38N4O5
Exact Mass: 534.2842
Molecular Weight: 534.65
Elemental Analysis: C, 67.39; H, 7.16; N, 10.48; O, 14.96

Description: A12B4C3 is a selective hPNKP phosphatase inhibitor.

IUPAC/Chemical Name: 4a,7a-Dihydro-2-(1-hydroxyundecyl)-1-[(4-nitrophenyl)amino]-6-phenyl-1H-pyrrolo[3,4-b]pyridine-5,7(2H,6H)-dione

InChi Key: KVHGJAKTBPFFNV-UHFFFAOYSA-N

InChi Code: 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 Code: O=C1N(C2=CC=CC=C2)C(C3C1C=CC(C(O)CCCCCCCCCC)N3NC4=CC=C([N+]([O-])=O)C=C4)=O

Appearance: Solid powder