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Chemical structure of CCR1 antagonist 9

GC60678

CCR1 antagonist 9

Also known as 1-(4-fluorophenyl)-N-[(2-methylsulfonyl-4-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide

CCR1 antagonist 9 is a potent and selective CCR1 antagonist with an IC50?of?6·8 nM in calcium flux assay

ChemicalCAS1220026-26-5MW425.44FormulaC20H16FN5O3S
CAS number
1220026-26-5
Molecular weight
425.44
Formula
C20H16FN5O3S
Solubility
DMSO: 83·33 mg/mL (195·87 mM)
InChIKey
DCHROQCNJDJPGN-UHFFFAOYSA-N
Catalogue number
GC60678
Brand
GLPBIO
Computed properties PubChem CID 59278314 · XLogP 1.5 · TPSA 115 Ų · H-bond donors 1
XLogP
1.5
TPSA
115 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
30

SMILES CS(=O)(=O)C1=NC=CC(=C1)CNC(=O)C2=CN=CC3=C2C=NN3C4=CC=C(C=C4)F

Computed descriptors from PubChem (CID 59278314), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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