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Chemical structure of AMG 487

GC11939

AMG 487

Also known as N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide

AMG 487 is an oral, selective chemokine receptor 3 (CXCR3) antagonist that inhibits CXCL10 and CXCL11 binding to CXCR3 with IC50 values of 8·0 and 8·2 nM, respectively

ChemicalCAS473719-41-4MW603.59FormulaC32H28F3N5O4
CAS number
473719-41-4
Molecular weight
603.59
Formula
C32H28F3N5O4
Solubility
≥ 122·2 mg/mL in DMSO, ≥ 122 mg/mL in EtOH
InChIKey
WQTKNBPCJKRYPA-OAQYLSRUSA-N
Catalogue number
GC11939
Brand
GLPBIO
Computed properties PubChem CID 24957182 · XLogP 5.2 · TPSA 97.2 Ų · H-bond donors 0
XLogP
5.2
TPSA
97.2 Ų
H-bond donors
0
H-bond acceptors
10
Rotatable bonds
10
Heavy atoms
44

SMILES CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=CC=C3)N=C2[C@@H](C)N(CC4=CN=CC=C4)C(=O)CC5=CC=C(C=C5)OC(F)(F)F

Computed descriptors from PubChem (CID 24957182), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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