Tyrphostin 25
Basic information
- CAS
118409-58-8- Standard SMILES
N#CC(C#N)=Cc1cc(O)c(O)c(O)c1- InChIKey
YZOFLYUAQDJWKV-UHFFFAOYSA-N- Molecular formula
- C10H6N2O3
- Average molar mass
- 202.17 g/mol
- Monoisotopic mass
- 202.03784206
Overview
2-[(3,4,5-trihydroxyphenyl)methylidene]propanedinitrile is a benzenetriol.
Names & identifiers
- Preferred name
- Tyrphostin 25
- IUPAC
- 2-[(3,4,5-trihydroxyphenyl)methylidene]propanedinitrile
- English name
- TYRPHOSTIN A25
- Molecular formula
- C10H6N2O3
- Molecular weight
- 202.17
Names & synonyms
Tyrphostin 25Tyrphostin A25118409-58-8Tyrphostin-25AG-82RG-50875DTXSID4045216AG 82(3,4,5-Trihydroxybenzylidene)-malononitrileNSC-676484C878BF87UYDTXCID2025216
Show more names
TYROPHOSTIN A25TYRPHOSTIN AG 82TYRPHOSTIN A25 99+%TYRPHOSTIN RG 50875RARECHEM AL BX 0070TYRPHOSTIN A25 USP/EP/BP
RefChem:9336954,5-Trihydroxybenzylidene malononitrile2-[(3,4,5-trihydroxyphenyl)methylidene]propanedinitrilePropanedinitrile, 2-[(3,4,5-trihydroxyphenyl)methylene]-(3,4,5-Trihydroxybenzylidene)malononitrile2-(3,4,5-Trihydroxybenzylidene)malononitrileMFCD00133900NSC676484
Database identifiers
- CAS
118409-58-8- PubChem CID
- 2061
- DTXSID
DTXSID4045216- ChEMBL
CHEMBL310798- ChEBI
CHEBI:92063- UNII
- C878BF87UY
- Nikkaji
- J397.954G
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 329
Physicochemical properties
- Melting point
- 220 °C · ~220°C dec.
- Boiling point
- 500.8 · 500.8±50.0 °C(Predicted)
- Density
- 1.569 · 1.569±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- 50 mg/mL, · DMSO: >50 mg/mL, clear, yellow to orange
- pka
- 7.1 · 7.10±0.23(Predicted)
- form
- Dark yellow solid
- color
- Yellow Green
- Stability
- Light Sensitive
- CAS DataBase Reference
- 118409 · 118409-58-8
- FDA UNII
- 878 BF87UY · C878BF87UY
- 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
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Substances that inhibit or prevent the proliferation of NEOPLASMS.
Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
Applications
UsesAn inhibitor of epidermal growth factor receptor tyrosine kinase activity and has a reported IC50 of 15 μM for the autophosphorylation of the EGF-receptor.
General DescriptionA cell-permeable, reversible, and competitive inhibitor of substrate binding on protein tyrosine kinases. Inhibits epidermal growth factor receptor tyrosine kinase (IC50 = 3 μM) and the GTPase activity of transducin (IC50 = 7 μM). Blocks the induction of inducible nitric oxide synthase in glial cells. Induces apoptosis in human leukemic cell lines. Also reported to inhibit guanylyl cyclase.
Additional notes
DefinitionChEBI: 2-[(3,4,5-trihydroxyphenyl)methylidene]propanedinitrile is a benzenetriol.
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