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Chemical structure of CXCR2 antagonist 2

GC65908

CXCR2 antagonist 2

Also known as 1-(3-fluoro-2-methylphenyl)-3-(8-hydroxy-1,1-dioxo-3,4-dihydro-2H-thiochromen-7-yl)urea

CXCR2 antagonist 2 is a potent CXCR2 antagonist for cancer immunotherapy with an IC50 value of 95 nM

ChemicalCAS2647464-91-1MW364.39FormulaC17H17FN2O4S
CAS number
2647464-91-1
Molecular weight
364.39
Formula
C17H17FN2O4S
InChIKey
SBTIRQPCNMRDMN-UHFFFAOYSA-N
Catalogue number
GC65908
Brand
GLPBIO
Computed properties PubChem CID 156433436 · XLogP 2.2 · TPSA 104 Ų · H-bond donors 3
XLogP
2.2
TPSA
104 Ų
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
25

SMILES CC1=C(C=CC=C1F)NC(=O)NC2=C(C3=C(CCCS3(=O)=O)C=C2)O

Computed descriptors from PubChem (CID 156433436), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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