AG-490

Chemical Information
Tyrphostin B42 is a monocarboxylic acid amide obtained by formal condensation of the carboxy group of (2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoic acid with the amino group of benzylamine. It has a role as a geroprotector, an antioxidant, an anti-inflammatory agent, an apoptosis inducer, an EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor and a STAT3 inhibitor. It is a secondary carboxamide, a nitrile, a monocarboxylic acid amide, a member of catechols and an enamide.
| CAS Number | 133550-30-8 |
| PubChem CID | 5328779 |
| IUPAC Name | (E)-N-benzyl-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide |
| Molecular Formula | C17H14N2O3 |
| Molecular Weight | 294.30 |
| XLogP | 2.4 |
| Topological Polar Surface Area | 93.4 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 460 |
| Property | Value |
|---|---|
| Molecular Weight | 294.30 |
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 294.10044231 |
| Monoisotopic Mass | 294.10044231 |
| Topological Polar Surface Area | 93.4 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 460 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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