Benzoic acid, 2-phenoxy-, 2-[(5-methyl-2-furanyl)methylene]hydrazide
Basic information
- CAS
113906-27-7- Standard SMILES
Cc1ccc(/C=N/NC(=O)c2ccccc2Oc2ccccc2)o1- InChIKey
JJEDWBQZCRESJL-DEDYPNTBSA-N- Molecular formula
- C19H16N2O3
- Average molar mass
- 320.3 g/mol
- Monoisotopic mass
- 320.11609238
Overview
PNU-74654 is beta-catenin - TCF interaction inhibitor.
Names & identifiers
- Preferred name
- Benzoic acid, 2-phenoxy-, 2-[(5-methyl-2-furanyl)methylene]hydrazide
- IUPAC
- N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-phenoxybenzamide
- English name
- 2-Phenoxybenzoicacid-[(5-methyl-2-furanyl)methylene]hydrazide
- Molecular formula
- C19H16N2O3
- Molecular weight
- 320.34
Names & synonyms
PNU 74654Benzoic acid, 2-phenoxy-, 2-[(5-methyl-2-furanyl)methylene]hydrazidePNU74654MFCD12912438(E)-N'-((5-methylfuran-2-yl)methylene)-2-phenoxybenzohydrazideCHEMBL254381N-[(E)-(5-Methylfuran-2-yl)methylideneamino]-2-phenoxybenzamide2-Phenoxybenzoicacid-[(5-methyl-2-furanyl)methylene]hydrazideN'-((5-methylfuran-2-yl)methylene)-2-phenoxybenzohydrazide2-Phenoxybenzoic acid [(5-methyl-2-furanyl)methylene]hydrazideorb1226929orb1299981
Show more names
CS-2563PNU-74654, 10 mM in DMSOPNU 74654, Wnt signaling pathway blockerPNU 74654,2-Phenoxybenzoicacid-[(5-methyl-2-furanyl)methylene]hydrazide
SCHEMBL3514174SCHEMBL29364567CHEBI:228251JJEDWBQZCRESJL-DEDYPNTBSA-NGLXC-10141HMS3413P04HMS3677P04EX-A2520
Database identifiers
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 63.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 434
Physicochemical properties
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- 10 mg/mL · DMSO: >10mg/mL
- form
- solid
- pka
- 12.12 · 12.12±0.46(Predicted)
- color
- white to off-white
- Stability
- 1 year · Stable for 1 year from date of purchase as supplied. Solutions in DMSO may be stored at -20° for up to 3 months.
- InChI
- 1S/C19H16N2O3/c1-14-11-12-16(23-14)13-20-21-19(22)17-9-5-6-10-18(17)24-15-7-3-2-4-8-15/h2-13H,1H3,(H,21,22)/b20-13+
- InChIKey
- JJEDWBQZCRESJL-DEDYPNTBSA-N
- SMILES
- Cc1ccc(\C=N\NC(=O)c2ccccc2Oc3ccccc3)o1
- UNSPSC Code
- 12352203 · 12352203
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
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
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P264-P270-P301+P312-P501
Chemistry & industry
Applications
DescriptionPNU 75654 (113906-27-7) disrupts the Wnt signaling pathway via inhibition of the interaction (KD50= 450 nM) between β-catenin and T cell factor 4 (Tcf4).
UsesPNU 74654 is a β-catenin inhibitor which inhibits interactions between β-catenin and transcription factor T-cell factor 4 (Tcf4) thus disrupting the Wnt signal transduction pathway.
UsesPNU-74654 has been used:as a β-catenin signaling inhibitor to study its effects on the funnel cartilage differentiation in Sepia sp. embryosas a Wnt signaling inhibitor to study its effects on glycogen synthase kinase 3β (GSK-3β) inhibition in prostate cancer cell linesas a Wnt signaling inhibitor to study its effects on leptin-induced cell proliferation in breast cancer cells
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Compound notes
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