LP117 , CAS No.1056468-55-3

CAS: 1056468-55-3 Cat. No.: L1440468 Molecular Weight: 431 PubChem CID: 24971275

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

LP117 is a novel and potent inhibitor of 5-Lipoxygenase ( 5-LO ) product synthesis with an IC 50 of 1.1 μM.

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: CCCCC(C(=O)OCC)SC1=NC(=CC(=N1)Cl)NC2=CC3=C(C=C2)N=CC=C3
• IUPAC Name: ethyl 2-[4-chloro-6-(quinolin-6-ylamino)pyrimidin-2-yl]sulfanylhexanoate
• InChIKey: PGDAEUTURQTTPZ-UHFFFAOYSA-N
• INCHI: 1S/C21H23ClN4O2S/c1-3-5-8-17(20(27)28-4-2)29-21-25-18(22)13-19(26-21)24-15-9-10-16-14(12-15)7-6-11-23-16/h6-7,9-13,17H,3-5,8H2,1-2H3,(H,24,25,26)
• Isomeric SMILES: CCCCC(C(=O)OCC)SC1=NC(=CC(=N1)Cl)NC2=CC3=C(C=C2)N=CC=C3
• PubChem CID: 24971275
• Molecular Weight: 431

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinolines and derivatives
• Alternative Parents: Alkylarylthioethers Aminopyrimidines and derivatives Halopyrimidines Fatty acid esters Pyridines and derivatives Aryl chlorides Benzenoids Imidolactams Heteroaromatic compounds Amino acids and derivatives Carboxylic acid esters Sulfenyl compounds Secondary amines Azacyclic compounds Monocarboxylic acids and derivatives Organochlorides Organic oxides Carbonyl compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline - Aryl thioether - Aminopyrimidine - Fatty acid ester - Halopyrimidine - Alkylarylthioether - Aryl chloride - Aryl halide - Pyridine - Pyrimidine - Benzenoid - Imidolactam - Fatty acyl - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - Secondary amine - Azacycle - Sulfenyl compound - Thioether - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organic oxygen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Amine - Organic nitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as quinolines and derivatives. These are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene.
• 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