Basic information
- CAS
118409-57-7- Standard SMILES
N#CC(C#N)=Cc1ccc(O)c(O)c1- InChIKey
VTJXFTPMFYAJJU-UHFFFAOYSA-N- Molecular formula
- C10H6N2O2
- Average molar mass
- 186.17 g/mol
- Monoisotopic mass
- 186.04292743
Overview
2-[(3,4-dihydroxyphenyl)methylidene]propanedinitrile is a member of catechols.
Names & identifiers
- Preferred name
- Tyrphostin 23
- IUPAC
- 2-[(3,4-dihydroxyphenyl)methylidene]propanedinitrile
- English name
- AG 18
- Molecular formula
- C10H6N2O2
- Molecular weight
- 186.17
Names & synonyms
Tyrphostin 23118409-57-7Tyrphostin A23AG 18AG-18Tyrphostin AG18Tyrphostin RG50810RV0GCD31OJ(3,4-Dihydroxyphenyl)methylene propanedinitrile3,4-dihydroxybenzylidenemalononitrileRefChem:900829834-432-3
Show more names
CS-931TX 825RG 50858AG18, >=98%Tyrphostin AG 1AG-18(RG-50810)
2-(3,4-dihydroxybenzylidene)malononitrileRG-50810(3,4-Dihydroxybenzylidene)malononitrile2-[(3,4-dihydroxyphenyl)methylidene]propanedinitrilePropanedinitrile,2-[(3,4-dihydroxyphenyl)methylene]-MFCD00133899AG-18 (Tyrphostin 23)DTXSID9045215
Database identifiers
- CAS
118409-57-7- PubChem CID
- 2052
- DTXSID
DTXSID9045215- ChEMBL
CHEMBL76904- ChEBI
CHEBI:92862- UNII
- RV0GCD31OJ
- EC Number
- 834-432-3
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 88 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 313
Physicochemical properties
- Melting point
- 225 °C · 225°C
- Boiling point
- 421.1 · 421.1±45.0 °C(Predicted)
- Density
- 1.428 · 1.428±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- Soluble in DMSO, ethanol, or DMF
- form
- Yellow solid
- pka
- 7.26 · 7.26±0.18(Predicted)
- color
- Yellow
- biological source
- synthetic (organic)
- λmax
- 464 nm · 464nm(DMSO)(lit.)
- Stability
- Store in refrigerator
- InChI
- 1S/C10H6N2O2/c11-5-8(6-12)3-7-1-2-9(13)10(14)4-7/h1-4,13-14H
- InChIKey
- VTJXFTPMFYAJJU-UHFFFAOYSA-N
- SMILES
- Oc1ccc(cc1O)\C=C(\C#N)C#N
- FDA UNII
- 0 GCD31OJ · RV0GCD31OJ
- UNSPSC Code
- 12352200 · 12352200
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H371 (100%): May cause damage to organs [Warning Specific target organ toxicity, single exposure]
P260, P264, P270, P308+P316, P319, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSTOT SE 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 2926.90.5050
- Signal word
- Warning
- Symbol(GHS)
- GHS08
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H371-H373
- Precautionary statements
- P501-P260-P270-P264-P308+P311-P405
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
UsesAG 18 inhibits EGFR with IC50 of 35 μM.
UsesA specific inhibitor for the epidermal growth factor receptor. Also inhibits EGF-dependent cell proliferation (IC50=35uM).
Upstream & downstream products
Upstream raw materials
Suppliers100 total
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
上海麦克林生化科技股份有限公司
Related reactions
3 records
Compound notes
Loading…