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Chemical structure of PF-05274857 (hydrochloride)

GC18599

PF-05274857 (hydrochloride)

Also known as 1-[4-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-3-methylsulfonylpropan-1-one;hydrochloride

PF-05274857 (hydrochloride) is a potent, selective, orally active and brain-penetrant antagonist of Smo, with an IC50 of 5·8 nM and Ki of 4·6 nM· PF-05274857 (hydrochloride) has potential for research of tumor types including brain tumors and brain metastasis driven by an activated Hh pathway

ChemicalCAS1613439-62-5MW473.4FormulaC20H25ClN4O3S·HCl
CAS number
1613439-62-5
Molecular weight
473.4
Formula
C20H25ClN4O3S·HCl
Solubility
Soluble in DMSO
InChIKey
GULNFUQAVPTTQV-UHFFFAOYSA-N
Catalogue number
GC18599
Brand
GLPBIO
Computed properties PubChem CID 90489027 · TPSA 91.9 Ų · H-bond donors 1 · H-bond acceptors 6
TPSA
91.9 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
30

SMILES CC1=CC(=C(N=C1)C2=CC(=NC=C2Cl)N3CCN(CC3)C(=O)CCS(=O)(=O)C)C.Cl

Computed descriptors from PubChem (CID 90489027), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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