Basic information
- CAS
5553-97-9- Standard SMILES
N#CC(C#N)Cc1ccc(O)cc1- InChIKey
PDRLQWJJFLVIRC-UHFFFAOYSA-N- Molecular formula
- C10H8N2O
- Average molar mass
- 172.18 g/mol
- Monoisotopic mass
- 172.06366288
Overview
2-[(4-hydroxyphenyl)methyl]propanedinitrile is a member of phenols.
Names & identifiers
- Preferred name
- 2-[(4-Hydroxyphenyl)methyl]propanedinitrile
- IUPAC
- 2-[(4-hydroxyphenyl)methyl]propanedinitrile
- English name
- TYRPHOSTIN A63
- Molecular formula
- C10H8N2O
- Molecular weight
- 172.18
Names & synonyms
5553-97-9tyrphostin 63Tyrphostin A632-[(4-hydroxyphenyl)methyl]propanedinitrileAG 43(4-hydroxybenzyl)malononitrile2-(4-hydroxybenzyl)malononitrileag43benzylidenemalononitrile (BMN) deriv. 63CHEMBL76587BDBM4378orb2945920
Show more names
TYRPHOSTIN AG 43TYRPHOSTIN A63 99%RARECHEM AL BY 0097TYRPHOSTIN A63 USP/EP/BP[4-HYDROXYBENZYL]MALONONITRILE3-Methyl-2-pyridinethioacetamide
SCHEMBL6824590DTXSID90274470CHEBI:114192PDRLQWJJFLVIRC-UHFFFAOYSA-NHSCI1_000082AKOS006271869[(4-Hydroxyphenyl)methyl]propanedinitrileHY-169755
Database identifiers
- CAS
5553-97-9- PubChem CID
- 5613
- DTXSID
DTXSID90274470- ChEMBL
CHEMBL76587- ChEBI
CHEBI:114192
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 233
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesTyrphostin 63 (compound 13) is an epidermal growth factor receptor (EGFR) inhibitor with IC50 and Ki values are 375 and 123 μM, respectively[1].
Suppliers8 total
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
斯百全化学（上海）有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
重庆卡兰医药有限公司[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
吉林中科研伸科技有限公司043180534350 19917294565 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
Additional notes
DefinitionChEBI: 2-[(4-hydroxyphenyl)methyl]propanedinitrile is a member of phenols.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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