PNU 74654 - ≥98% , CAS No.113906-27-7

CAS: 113906-27-7 Cat. No.: P276267 Formula: C₁₉H₁₆N₂O₃ Molecular Weight: 320.34 EC Number: 631-232-6 PubChem CID: 9836739

GRADE & PURITY ≥98%

Synonyms

HMS3413P04 | HY-101130 | PNU74654 | PNU-74654 | J-003040 | NSC755984 | NSC-755984 | CCG-208115 | N-[(E)-(5-Methylfuran-2-yl)methylideneamino]-2-phenoxybenzamide | SCHEMBL3514174 | BDBM50436058 | AC-33054 | PNU 74654 | 2-Phenoxybenzoic acid-[(5-methyl-2-fu

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

application：

PNU-74654 has been used:

as a β-catenin signaling inhibitor to study its effects on the funnel cartilage differentiation in Sepia sp. embryos

as a Wnt signaling inhibitor to study its effects on glycogen synthase kinase 3β (GSK-3β) inhibition in prostate cancer cell lines

as a Wnt signaling inhibitor to study its effects on leptin-induced cell proliferation in breast cancer cells

Specifications

Synonyms

HMS3413P04 | HY-101130 | PNU74654 | PNU-74654 | J-003040 | NSC755984 | NSC-755984 | CCG-208115 | N-[(E)-(5-Methylfuran-2-yl)methylideneamino]-2-phenoxybenzamide | SCHEMBL3514174 | BDBM50436058 | AC-33054 | PNU 74654 | 2-Phenoxybenzoic acid-[(5-methyl-2-fu

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Wnt signaling pathway blocker. Inhibits Wnt/β-catenin pathway. Blocks the protein-protein interaction between β-catenin and TCF. Antitumor effects.PNU-74654 inhibits the Wnt-β catenin pathway by blocking the interaction between β-catenin and TCF (T cell f

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

Pubchem Sid

504764940

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504764940

Canonical Smiles

CC1=CC=C(O1)C=NNC(=O)C2=CC=CC=C2OC3=CC=CC=C3

IUPAC Name

N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-phenoxybenzamide

InChIKey

JJEDWBQZCRESJL-DEDYPNTBSA-N

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+

Isomeric SMILES

CC1=CC=C(O1)/C=N/NC(=O)C2=CC=CC=C2OC3=CC=CC=C3

PubChem CID

9836739

Molecular Weight

320.34

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Diphenylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Diarylethers Benzoic acids and derivatives Phenoxy compounds Phenol ethers Benzoyl derivatives Heteroaromatic compounds Furans Oxacyclic compounds Carboxylic acids and derivatives Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diphenylether - Diaryl ether - Benzoic acid or derivatives - Benzoyl - Phenoxy compound - Phenol ether - Heteroaromatic compound - Furan - Oxacycle - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

CTNNB1 Tchem Catenin beta-1 (1 Activities)

Discover Target: CTNNB1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CTNNB1 Tchem Catenin beta-1 (517 Activities)

Discover Target: CTNNB1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CTNNB1 Tchem TCF4/beta-catenin (616 Activities)

Discover Target: CTNNB1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CTNNB1 Tchem TCF4-CTNNB1 complex (25 Activities)

Discover Target: CTNNB1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in DMSO to 75 mM
• Molecular Weight: 320.300 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 320.116 Da
• Monoisotopic Mass: 320.116 Da
• Topological Polar Surface Area: 63.800 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 434.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 113906-27-7, the molecular formula is C19H16N2O3, and the molecular weight is 320.34 g/mol. InChIKey JJEDWBQZCRESJL-DEDYPNTBSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.