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JW55 - >98%, high purity , CAS No.664993-53-7
Basic Description
Synonyms
N-[4-[[[[Tetrahydro-4-(4-methoxyphenyl)-2H-pyran-4-yl]methyl]amino]carbonyl]phenyl]-2-furancarboxamide
Specifications & Purity
≥98%
Biochemical and Physiological Mechanisms
JW55 is a potent and selective inhibitor of Wnt/β-catenin signaling, that functions via inhibition of the PARP domain of tankyrase 1 and tankyrase 2 (TNKS1/2) leading to stabilization of AXIN2 followed by increased degradation of β-catenin. JW55 specifica
Storage Temp
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Anilides
Intermediate Tree Nodes
Aromatic anilides - Furanilides
Direct Parent
2-furanilides
Alternative Parents
Benzamides Phenoxy compounds 2-heteroaryl carboxamides Anisoles Methoxybenzenes Furoic acid and derivatives Benzoyl derivatives Alkyl aryl ethers Oxanes Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-furanilide - Benzamide - Benzoic acid or derivatives - 2-heteroaryl carboxamide - Furoic acid or derivatives - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Oxane - Heteroaromatic compound - Furan - Carboxamide group - Secondary carboxylic acid amide - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2-furanilides. These are aromatic heterocyclic compounds contaning a furan ring that is substituted at the 2-position with an anilide.
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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
504762258
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504762258
IUPAC Name
N-[4-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoyl]phenyl]furan-2-carboxamide
INCHI
InChI=1S/C25H26N2O5/c1-30-21-10-6-19(7-11-21)25(12-15-31-16-13-25)17-26-23(28)18-4-8-20(9-5-18)27-24(29)22-3-2-14-32-22/h2-11,14H,12-13,15-17H2,1H3,(H,26,28)(H,27,29)
InChIKey
ZJZWZIXSGNFWQQ-UHFFFAOYSA-N
Smiles
COC1=CC=C(C=C1)C2(CCOCC2)CNC(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CO4
Isomeric SMILES
COC1=CC=C(C=C1)C2(CCOCC2)CNC(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CO4
Molecular Weight
434.48
Reaxy-Rn
21459846
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21459846&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
DMSO: 15 mg/mL, clear
Molecular Weight
434.500 g/mol
XLogP3
3.500
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
7
Exact Mass
434.184 Da
Monoisotopic Mass
434.184 Da
Topological Polar Surface Area
89.800 Ų
Heavy Atom Count
32
Formal Charge
0
Complexity
620.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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