IFSP1

Chemical Information
IFSP1 is a member of the class of pyridobenzimidazoles that is pyrido[1,2-a]benzimidazole substituted by amino, cyano, 4-methylphenyl, and cyano groups at positions 1, 2, 3 and 4, respectively. It is a potent inhibitor of ferroptosis suppressor protein 1 (FSP1) with EC50 of 103 nM. It induces ferroptosis in GPX4 knockout cells that overexpress FSP1. It has a role as a ferroptosis inducer, a ferroptosis suppressor protein 1 inhibitor and an antineoplastic agent. It is a pyridobenzimidazole, a nitrile, a member of toluenes, an aromatic amine and a primary amino compound.
| CAS Number | 150651-39-1 |
| PubChem CID | 699043 |
| IUPAC Name | 1-amino-3-(4-methylphenyl)pyrido[1,2-a]benzimidazole-2,4-dicarbonitrile |
| Molecular Formula | C20H13N5 |
| Molecular Weight | 323.3 |
| XLogP | 4.8 |
| Topological Polar Surface Area | 90.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 592 |
| Property | Value |
|---|---|
| Molecular Weight | 323.3 |
| XLogP3 | 4.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 323.11709544 |
| Monoisotopic Mass | 323.11709544 |
| Topological Polar Surface Area | 90.9 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 592 |
| 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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