HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-[(4-Hydroxyphenyl)methyl]propanedinitrile
AG 43 · TYRPHOSTIN 63 · TYRPHOSTIN A63 · TYRPHOSTIN AG 43 · TYRPHOSTIN A63 99% · RARECHEM AL BY 0097 · TYRPHOSTIN A63 USP/EP/BP · [4-HYDROXYBENZYL]MALONONITRILE
![2-[(4-Hydroxyphenyl)methyl]propanedinitrile molecular structure](/img/chemical/5613.png)
Identifiers & Physical Properties
| CAS No. | 5553-97-9 |
|---|---|
| Molecular formula | C10H8N2O |
| Average molar mass | 172.18 g/mol |
| Monoisotopic mass | 172.06366288 g/mol |
| SMILES | N#CC(C#N)Cc1ccc(O)cc1 |
| InChIKey | PDRLQWJJFLVIRC-UHFFFAOYSA-N |
| PubChem CID | 5613 |
| ChEMBL | CHEMBL76587 |
| ChEBI | CHEBI:114192 |
| DTXSID | DTXSID90274470 |
Chemical & Physical Properties
| XLogP | 1.5 |
|---|---|
| Topological polar surface area | 67.8 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 2 |
| Heavy atoms | 13 |
| Formal charge | 0 |
| Complexity | 233 |
| Storage conditions | 2-8°C |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P280-P305+P351+P338 |
| Water hazard class (WGK) | 3 |
Safety & Regulations
| Water hazard class (WGK) | 3 |
|---|---|
| Signal word | Warning |
| GHS pictogram | GHS07 |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P280-P305+P351+P338 |
Applications & Uses
Uses
Tyrphostin 63 (compound 13) is an epidermal growth factor receptor (EGFR) inhibitor with IC50 and Ki values are 375 and 123 μM, respectively[1].