W1020

W146 hydrate

≥98% (HPLC)

• Synonym(s): ML056, R-3-amino-4-(3-hexylphenylamino)-4-oxobutylphosphonic acid hydrate, [(3R)-3-amino-4-[(3-hexylphenyl)amino]-4-oxobutyl]-phosphonic acid
• Empirical Formula (Hill Notation): C₁₆H₂₇N₂O₄P · xH₂O
• CAS Number: 909725-61-7
• Molecular Weight: 342.37 (anhydrous basis)
• MDL number: MFCD16875441
• UNSPSC Code: 12352211
• PubChem Substance ID: 329830425
• NACRES: NA.77

Properties

• Quality Level: 100
• assay: ≥98% (HPLC)
• form: powder
• color: off-white
• solubility: methanol: soluble (with 0.1% TFA)
• originator: Novartis
• storage temp.: 2-8°C
• SMILES string: O.CCCCCCc1cccc(NC(=O)[C@H](N)CCP(O)(O)=O)c1
• InChI: 1S/C16H27N2O4P.H2O/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);1H2/t15-;/m1./s1
• InChI key: DQKSZHVSROOTFY-XFULWGLBSA-N

Description

General description

W146 hydrate functions as an orthosteric antagonist. It is associated with blood lymphopenia and lung edema in mice.

Application

W146 hydrate has been used to assess vascular permeability in mice.

Biochem/physiol Actions

Potent S1P(1) competitive antagonist; Ki = 10-77 nM.

Features and Benefits

This compound is featured on the Lysophospholipid Receptors page of the Handbook of Receptor Classification and Signal Transduction. To browse other handbook pages, click here.

This compound was developed by Novartis. To browse the list of other pharma-developed compounds and Approved Drugs/Drug Candidates, click here.

Safety Information

• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable