VPC 32179 (R) (ammonium salt)

Catalog NumberBL-M000854
CAS Number799268-76-1
DescriptionVPC 32179 is devoid of agonist activity at the human LPA2 and LPA3 receptors and behaves as a competitive antagonist at the LPA3 receptor. However, VPC 32179 has been found to have partial agonist activity in a cell migration assay; this is most likely due to activity at the LPA1 receptor.
IUPAC Nameazanium;[(2R)-2-[[(Z)-octadec-9-enoyl]amino]-3-[4-(pyridin-2-ylmethoxy)phenyl]propyl] hydrogen phosphate
Synonyms(R)-phosphoric acid mono-{2-octadec-9-enoylamino-3-[4-(pyridin-2-ylmethoxy)-phenyl]-propyl} ester (ammonium salt); Ammonium (R)-2-oleamido-3-(4-(pyridin-2-ylmethoxy)phenyl)propyl hydrogen phosphate; ammonium (9Z)-N-[(2R)-1-(hydrogen phosphonatooxy)-3-[4-(pyridin-2-ylmethoxy)phenyl]propan-2-yl]octadec-9-enamide
Molecular Weight619.77
Molecular FormulaC33H54N3O6P
Purity>99%
AppearancePowder
Shelf Life1 Year
StorageStore at -20°C
Percent CompositionC 63.95%, H 8.78%, N 6.78%, O 15.49%, P 5.00%
Canonical SMILESCCCCCCCCC=CCCCCCCCC(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=N2)COP(=O)(O)[O-].[NH4+]
InChIInChI=1S/C33H51N2O6P.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-33(36)35-31(28-41-42(37,38)39)26-29-21-23-32(24-22-29)40-27-30-19-17-18-25-34-30;/h9-10,17-19,21-25,31H,2-8,11-16,20,26-28H2,1H3,(H,35,36)(H2,37,38,39);1H3/b10-9-;/t31-;/m1./s1
InChI KeyCIWOPVRNKVCACF-FJRCUGBNSA-N

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