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Chemical structure of CCR6 inhibitor 1

GC34521

CCR6 inhibitor 1

Also known as 4-[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]sulfonylphenyl]pyridine-2-carboxamide

CCR6 inhibitor 1 is a potent and selective CCR6 inhibitor, with IC50s of 0·45 and 6 nM for monkey and human CCR6, much more selective at CCR6 over human CCR1 (IC50, > 30000 nM), and CCR7 (IC50, 9400 nM)

ChemicalCAS2437547-04-9MW504.52FormulaC24H23F3N4O3S
CAS number
2437547-04-9
Molecular weight
504.52
Formula
C24H23F3N4O3S
Solubility
DMSO ： ≥ 125 mg/mL (247·76 mM)
InChIKey
CNOZLNNAVQPFBD-UHFFFAOYSA-N
Catalogue number
GC34521
Brand
GLPBIO
Computed properties PubChem CID 134817249 · XLogP 4.1 · TPSA 123 Ų · H-bond donors 2
XLogP
4.1
TPSA
123 Ų
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
6
Heavy atoms
35

SMILES C1CC(CCC1NC2=NC=C(C=C2)C(F)(F)F)S(=O)(=O)C3=CC=C(C=C3)C4=CC(=NC=C4)C(=O)N

Computed descriptors from PubChem (CID 134817249), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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