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
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About This Item
Empirical Formula (Hill Notation):
C16H27N2O4P · xH2O
CAS Number:
Molecular Weight:
342.37 (anhydrous basis)
NACRES:
NA.77
PubChem Substance ID:
UNSPSC Code:
12352211
MDL number:
Assay:
≥98% (HPLC)
Form:
powder
Quality Segment
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
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.
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
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