PJ34

Chemical Information
PJ34 is a member of the class of phenanthridines that is 5,6-dihydrophenanthridine substituted at positions 2 and 6 by (N,N-dimethylglycyl)amino and oxo groups, respectively. It is a potent inhibitor of poly(ADP-ribose) polymerases PARP1 and PARP2 (IC50 of 110 nM and 86 nM, respectively) and exhibits anti-cancer, cardioprotective and neuroprotective properties. It has a role as an antiatherosclerotic agent, an antineoplastic agent, an angiogenesis inhibitor, an EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor, a neuroprotective agent, an anti-inflammatory agent, an apoptosis inducer and a cardioprotective agent. It is a secondary carboxamide, a tertiary amino compound and a member of phenanthridines. It is a conjugate base of a PJ34(1+).
| CAS Number | 344458-19-1 |
| PubChem CID | 4858 |
| IUPAC Name | 2-(dimethylamino)-N-(6-oxo-5H-phenanthridin-2-yl)acetamide |
| Molecular Formula | C17H17N3O2 |
| Molecular Weight | 295.34 |
| XLogP | 1.7 |
| Topological Polar Surface Area | 61.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 438 |
| Property | Value |
|---|---|
| Molecular Weight | 295.34 |
| XLogP3 | 1.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 295.132076794 |
| Monoisotopic Mass | 295.132076794 |
| Topological Polar Surface Area | 61.4 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 438 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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