Erbstatin
Basic information
- CAS
100827-28-9- Standard SMILES
O=CN/C=C/c1cc(O)ccc1O- InChIKey
SIHZWGODIRRSRA-ONEGZZNKSA-N- Molecular formula
- C9H9NO3
- Average molar mass
- 179.17 g/mol
- Monoisotopic mass
- 179.05824315
Overview
Erbstatin is a member of hydroquinones.
Names & identifiers
- Preferred name
- Erbstatin
- IUPAC
- N-[(E)-2-(2,5-dihydroxyphenyl)ethenyl]formamide
- English name
- (E)-N-(2-(2,5-Dihydroxyphenyl)ethenyl)formamide
- Molecular weight
- 0
Names & synonyms
Erbstatin100827-28-9N-[(E)-2-(2,5-dihydroxyphenyl)ethenyl]formamideWDH83K6T5PFORMAMIDE, N-(2-(2,5-DIHYDROXYPHENYL)ETHENYL)-, (E)-DTXSID801318622NSC-610187N-((E)-2-(2,5-DIHYDROXYPHENYL)ETHENYL)FORMAMIDERefChem:137475DTXCID301748426(E)-N-(2,5-Dihydroxystyryl)formamide(E)-N-(2-(2,5-Dihydroxyphenyl)ethenyl)formamide
Show more names
NSC610187MLS000756834UNII-WDH83K6T5PNSC 610187SIHZWGODIRRSRA-ONEGZZNKSA-Nstarbld0005202cid_58035CHEMBL47986
Database identifiers
- CAS
100827-28-9- PubChem CID
- 5328552
- DTXSID
DTXSID801318622- ChEMBL
CHEMBL47986- ChEBI
CHEBI:222533- UNII
- WDH83K6T5P
- Nikkaji
- J33.915F
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- storage temp.
- -20 °C · -20°C
- solubility
- Acetone: Soluble,DMSO: Soluble,Methanol: Soluble
- form
- A solid
- FDA UNII
- 83 K6T5P · WDH83K6T5P
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationCompounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
Applications
UsesErbstatin, a EGFR kinase inhibitor, possesses antineoplastic effect[1][2].
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Related reactions
1 records
Compound notes
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