WJ460 - ≥98% , CAS No.1415251-36-3

CAS: 1415251-36-3 Cat. No.: W412839 Fórmula: C₂₇H₂₈N₂O₃S Peso molecular: 460.59 PubChem CID: 134820567

GRADE & PURITY ≥98%

Synonyms

3-(3-(2-Methoxyphenyl)-4-oxothiazolidin-2-yl)-N-(4-phenylbutyl)benzamide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

3-(3-(2-Methoxyphenyl)-4-oxothiazolidin-2-yl)-N-(4-phenylbutyl)benzamide

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

WJ460 is a potent inhibitor of myoferlin (MYOF) that interacts directly with MYOF and exerts anti-metastatic activity in the nanomolar range in breast cancer cells.

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

528768447

Sorrisos canónicos

COC1=CC=CC=C1N2C(SCC2=O)C3=CC(=CC=C3)C(=O)NCCCCC4=CC=CC=C4

IUPAC Name

3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(4-phenylbutyl)benzamide

InChIKey

BOSNKHFAOWELSW-UHFFFAOYSA-N

INCHI

1S/C27H28N2O3S/c1-32-24-16-6-5-15-23(24)29-25(30)19-33-27(29)22-14-9-13-21(18-22)26(31)28-17-8-7-12-20-10-3-2-4-11-20/h2-6,9-11,13-16,18,27H,7-8,12,17,19H2,1H3,(H,28,31)

PubChem CID

134820567

Peso molecular

460.59

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Phenylbutylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenylbutylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylbutylamines
• Alternative Parents: Benzamides Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers N-acyl amines Thiazolidines Tertiary carboxylic acid amides Lactams Sulfenyl compounds Dialkylthioethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylbutylamine - Benzoic acid or derivatives - Benzamide - Phenoxy compound - Methoxybenzene - Phenol ether - Benzoyl - Anisole - Alkyl aryl ether - N-acyl-amine - Thiazolidine - Tertiary carboxylic acid amide - Lactam - Carboxamide group - Azacycle - Organoheterocyclic compound - Dialkylthioether - Sulfenyl compound - Thioether - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenylbutylamines. These are compounds containing a phenylbutylamine moiety, which consists of a phenyl group substituted at the fourth carbon by an butan-1-amine.
• 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

Propriedades químicas e físicas

• Peso molecular: 460.600 g/mol
• XLogP3: 5.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 460.182 Da
• Monoisotopic Mass: 460.182 Da
• Topological Polar Surface Area: 83.900 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 639.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1