Compound Y-1 - ≥98% , CAS No.2379438-80-7

CAS: 2379438-80-7 Cat. No.: C412800 Molecular Weight: 317.25

GRADE & PURITY ≥98%

Synonyms

Neuraminidase-IN-1 | Y-1 | (E)-3,5-Dihydroxy-N'-(4-hydroxy-3-nitrobenzylidene)benzohydrazide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Compound Y-1 (Neuraminidase-IN-1, Y-1) is a neuraminidase inhibitor with IC50 of 0.21 μM. Compound Y-1 (Neuraminidase-IN-1, Y-1) has excellent activity against H1N1 influenza virus and good inhibitory effect on the A/WSN/33 H1N1 virus strains.

Specifications

Synonyms

Neuraminidase-IN-1 | Y-1 | (E)-3, 5-Dihydroxy-N'-(4-hydroxy-3-nitrobenzylidene)benzohydrazide

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Compound Y-1 (Neuraminidase-IN-1, Y-1) is a neuraminidase inhibitor with IC50 of 0.21 μM. Compound Y-1 (Neuraminidase-IN-1, Y-1) has excellent activity against H1N1 influenza virus and good inhibitory effect on the A/WSN/33 H1N1 virus strains.

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.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC(=C(C=C1C=NNC(=O)C2=CC(=CC(=C2)O)O)[N+](=O)[O-])O
• IUPAC Name: 3,5-dihydroxy-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
• InChIKey: MCGROFKAAXXTBN-VIZOYTHASA-N
• INCHI: 1S/C14H11N3O6/c18-10-4-9(5-11(19)6-10)14(21)16-15-7-8-1-2-13(20)12(3-8)17(22)23/h1-7,18-20H,(H,16,21)/b15-7+
• Isomeric SMILES: C1=CC(=C(C=C1/C=N/NC(=O)C2=CC(=CC(=C2)O)O)[N+](=O)[O-])O
• Molecular Weight: 317.25
• Reaxy-Rn: 34487083
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=34487083&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenols
      • Subclass Nitrophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenols
• Subclass: Nitrophenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrophenols
• Alternative Parents: Nitrobenzenes Benzoic acids and derivatives Nitroaromatic compounds Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic zwitterions Organic oxoanionic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrophenol - Nitrobenzene - Benzoic acid or derivatives - Nitroaromatic compound - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organic hyponitrite - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as nitrophenols. These are compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both a hydroxyl group and a nitro group on two different ring carbon atoms.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility (25°C) In vitro Ethanol: mg/mL