W1020

W146 hydrate

≥98% (HPLC)

• Synonyme(s) : ML056, R-3-amino-4-(3-hexylphenylamino)-4-oxobutylphosphonic acid hydrate, [(3R)-3-amino-4-[(3-hexylphenyl)amino]-4-oxobutyl]-phosphonic acid
• Formule empirique (notation de Hill): C₁₆H₂₇N₂O₄P · xH₂O
• Numéro CAS: 909725-61-7
• Poids moléculaire : 342.37 (anhydrous basis)
• Numéro MDL: MFCD16875441
• Code UNSPSC : 12352211
• ID de substance PubChem : 329830425
• Nomenclature NACRES : NA.77

Propriétés

• Niveau de qualité: 100
• Pureté: ≥98% (HPLC)
• Forme: powder
• Couleur: off-white
• Solubilité: methanol: soluble (with 0.1% TFA)
• Auteur: Novartis
• Température de stockage: 2-8°C
• Chaîne SMILES: 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
• Clé InChI: DQKSZHVSROOTFY-XFULWGLBSA-N

Description

Description générale

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.

Actions biochimiques/physiologiques

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

Caractéristiques et avantages

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.

Informations sur la sécurité

• Code de la classe de stockage: 11 - Combustible Solids
• Classe de danger pour l'eau (WGK): WGK 3
• Point d'éclair (°F): Not applicable
• Point d'éclair (°C): Not applicable