NR160 , CAS No.2484895-50-1

CAS: 2484895-50-1 Cat. No.: N1426735 PubChem CID: 146680839

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

NR160 is a selective HDAC6 inhibitor with an IC 50 value of 30 nM. NR160 shows low cytotoxicity against leukemia cell line. NR160 augments the apoptosis induction of Bortezomib ( proteasome inhibitor ), Epirubicin and Daunorubicin significantly.

Specifications

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Action Type

INHIBITOR

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)CN2C(=NN=N2)CN(CC3=CC=C(C=C3)C(=O)NO)C(=O)C4=CC=CC=C4C(F)(F)F
• IUPAC Name: N-[(1-benzyltetrazol-5-yl)methyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-2-(trifluoromethyl)benzamide
• InChIKey: MEWDNULKAXEKII-UHFFFAOYSA-N
• INCHI: 1S/C25H21F3N6O3/c26-25(27,28)21-9-5-4-8-20(21)24(36)33(14-18-10-12-19(13-11-18)23(35)30-37)16-22-29-31-32-34(22)15-17-6-2-1-3-7-17/h1-13,37H,14-16H2,(H,30,35)
• Isomeric SMILES: C1=CC=C(C=C1)CN2C(=NN=N2)CN(CC3=CC=C(C=C3)C(=O)NO)C(=O)C4=CC=CC=C4C(F)(F)F
• PubChem CID: 146680839

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Trifluoromethylbenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Trifluoromethylbenzenes
• Alternative Parents: Benzamides Benzoyl derivatives Tetrazoles Tertiary carboxylic acid amides Heteroaromatic compounds Hydroxamic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Trifluoromethylbenzene - Benzoic acid or derivatives - Benzamide - Benzoyl - Heteroaromatic compound - Tetrazole - Tertiary carboxylic acid amide - Azole - Hydroxamic acid - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
• 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