Pifithrin-α

Chemical Information
Pifithrin-alpha hydrobromide is a hydrobromide salt prepared from 2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(4-methylphenyl)ethanone and one equivalent of hydrogen bromide. It is a chemical that inhibits p53-mediated gene activation and apoptosis. It has a role as a p53 inhibitor, a hepatoprotective agent, an apoptosis inhibitor and an aryl hydrocarbon receptor agonist. It contains a 3-[2-(4-methylphenyl)-2-oxoethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2(3H)-iminium.
| CAS Number | 63208-82-2 |
| PubChem CID | 9929138 |
| IUPAC Name | 2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(4-methylphenyl)ethanone;hydrobromide |
| Molecular Formula | C16H19BrN2OS |
| Molecular Weight | 367.3 |
| Topological Polar Surface Area | 69.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 449 |
| Property | Value |
|---|---|
| Molecular Weight | 367.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 366.04015 |
| Monoisotopic Mass | 366.04015 |
| Topological Polar Surface Area | 69.5 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 449 |
| 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 | 2 |
| Compound Is Canonicalized | Yes |
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