LW479 , CAS No.1688677-89-5

CAS: 1688677-89-5 Cat. No.: L1427001 Fórmula: C₂₁H₂₃BrN₂O₄S Peso molecular: 479.39 Número CE: 110-413-9 PubChem CID: 91900719

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

LW479, a novel HDAC inhibitor, could be a candidate agent for breast cancer prevention.

Specifications

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.

Nomes e identificadores

Sorrisos canónicos

C1C(=O)N(C(S1)C2=CC(=CC=C2)Br)C3=CC=CC=C3OCCCCCC(=O)NO

IUPAC Name

6-[2-[2-(3-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenoxy]-N-hydroxyhexanamide

InChIKey

XRAVVAITOQNASO-UHFFFAOYSA-N

INCHI

1S/C21H23BrN2O4S/c22-16-8-6-7-15(13-16)21-24(20(26)14-29-21)17-9-3-4-10-18(17)28-12-5-1-2-11-19(25)23-27/h3-4,6-10,13,21,27H,1-2,5,11-12,14H2,(H,23,25)

SMILES isoméricas

C1C(=O)N(C(S1)C2=CC(=CC=C2)Br)C3=CC=CC=C3OCCCCCC(=O)NO

PubChem CID

91900719

Peso molecular

479.39

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Bromobenzenes Alkyl aryl ethers Aryl bromides Thiazolidines Tertiary carboxylic acid amides Lactams Hydroxamic acids Dialkylthioethers Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Thiazolidine - Tertiary carboxylic acid amide - Carboxamide group - Hydroxamic acid - Lactam - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Dialkylthioether - Thioether - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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