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Chemical structure of PF 05089771

GC36877

PF 05089771

Also known as 4-[2-(5-amino-1H-pyrazol-4-yl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide

PF 05089771 is a potent, orally active and selective arylsulfonamide Nav1·7 inhibitor, with IC50 values of 11 nM, 12 nM, 13 nM, 171 nM and 8 nM for hNav1·7, cynNav1·7, dogNav1·7,ratNav1·7, and musNav1·7, respectively

ChemicalCAS1235403-62-9MW500.35FormulaC18H12Cl2FN5O3S2
CAS number
1235403-62-9
Molecular weight
500.35
Formula
C18H12Cl2FN5O3S2
Solubility
DMSO: ≥ 34 mg/mL (67·95 mM)
InChIKey
ZYSCOUXLBXGGIM-UHFFFAOYSA-N
Catalogue number
GC36877
Brand
GLPBIO
Computed properties PubChem CID 46840946 · XLogP 4.3 · TPSA 160 Ų · H-bond donors 3
XLogP
4.3
TPSA
160 Ų
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
6
Heavy atoms
31

SMILES C1=CC(=C(C=C1Cl)C2=C(NN=C2)N)OC3=CC(=C(C=C3Cl)S(=O)(=O)NC4=CSC=N4)F

Computed descriptors from PubChem (CID 46840946), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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