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Chemical structure of AUY954

GC42877

AUY954

Also known as 3-[[2-[4-phenyl-3-(trifluoromethyl)phenyl]-1-benzothiophen-5-yl]methylamino]propanoic acid

AUY954 is an orally bioavailable and selective agonist of the sphingosine-1-phosphate receptor 1 (S1P1; EC50 = 1·2 nM for stimulating GTPγS binding to S1P1 in CHO cells)

ChemicalCAS820240-77-5MW455.5FormulaC25H20F3NO2S
CAS number
820240-77-5
Molecular weight
455.5
Formula
C25H20F3NO2S
Solubility
DMF： 30 mg/ml,DMSO： 30 mg/ml,DMSO：PBS (pH 7·2) (1：1)： 0·5 mg/ml
InChIKey
SKYYWSWIUKISCX-UHFFFAOYSA-N
Catalogue number
GC42877
Brand
GLPBIO
Computed properties PubChem CID 11259583 · XLogP 3.7 · TPSA 77.6 Ų · H-bond donors 2
XLogP
3.7
TPSA
77.6 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
32

SMILES C1=CC=C(C=C1)C2=C(C=C(C=C2)C3=CC4=C(S3)C=CC(=C4)CNCCC(=O)O)C(F)(F)F

Computed descriptors from PubChem (CID 11259583), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Pricing
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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