W140 hydrobromide , CAS No.1246817-25-3

CAS: 1246817-25-3 Cat. No.: W1431628 Molecular Weight: 423.28 PubChem CID: 6857803

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

W140 hydrobromide is a S1P1 antagonist with the K i of 2.84 μM, and can enhanceof capillary leakage and restoration of lymphocyte egress.

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.

Names and Identifiers

• Canonical Smiles: CCCCCCC1=CC(=CC=C1)NC(=O)C(CCP(=O)(O)O)N
• IUPAC Name: [(3S)-3-amino-4-(3-hexylanilino)-4-oxobutyl]phosphonic acid
• InChIKey: FWJRVGZWNDOOFH-HNNXBMFYSA-N
• INCHI: 1S/C16H27N2O4P/c1-2-3-4-5-7-13-8-6-9-14(12-13)18-16(19)15(17)10-11-23(20,21)22/h6,8-9,12,15H,2-5,7,10-11,17H2,1H3,(H,18,19)(H2,20,21,22)/t15-/m0/s1
• Isomeric SMILES: CCCCCCC1=CC(=CC=C1)NC(=O)[C@H](CCP(=O)(O)O)N
• PubChem CID: 6857803
• Molecular Weight: 423.28

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid amides
• Alternative Parents: Anilides N-arylamides Fatty amides Organic phosphonic acids Secondary carboxylic acid amides Organophosphorus compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-amino acid amide - Anilide - N-arylamide - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Benzenoid - Organophosphonic acid - Organophosphonic acid derivative - Carboxamide group - Secondary carboxylic acid amide - Organooxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Primary aliphatic amine - Organic oxide - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organophosphorus compound - Primary amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
• 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