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W146 hydrate

SIGMA/W1020 - ≥98% (HPLC)

Synonym: ML056; R-3-amino-4-(3-hexylphenylamino)-4-oxobutylphosphonic acid hydrate; [(3R)-3-amino-4-[(3-hexylphenyl)amino]-4-oxobutyl]-phosphonic acid

CAS Number: 909725-61-7 (anhydrous)
Empirical Formula (Hill Notation): C16H27N2O4P · xH2O
Molecular Weight: 342.37 (anhydrous basis)
MDL Number: MFCD16875441
Linear Formula: C16H27N2O4P · xH2O
Product Type: Chemical

Catalog Number PKG Qty. Price Quantity
45-W1020-1MG 1 mg
$233.00
1/EA
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45-W1020-5MG 5 mg
$923.00
1/EA
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assay ≥98% (HPLC)
color off-white
form powder
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
originator Novartis
Quality Level 100 
SMILES string O.CCCCCCc1cccc(NC(=O)[C@H](N)CCP(O)(O)=O)c1
solubility methanol: soluble (with 0.1% TFA)
storage temp. 2-8°C
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 .
Features and Benefits: This compound was developed by Novartis . To browse the list of other pharma-developed compounds and Approved Drugs/Drug Candidates, click here .
General description: W146 hydrate functions as an orthosteric antagonist. It is associated with blood lymphopenia and lung edema in mice.
Packaging: 1, 5 mg in glass bottle
RIDADR NONH for all modes of transport
WGK Germany WGK 3
Flash Point(F) Not applicable
Flash Point(C) Not applicable
Purity ≥98% (HPLC)
Storage Temp. 2-8°C
UNSPSC 12352211

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