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Chemical structure of PF-2771

GC34297

PF-2771

Also known as N-[(2S)-1-[4-(2-acetyl-1-methylimidazol-4-yl)phenyl]-3-[[2-(dimethylamino)acetyl]amino]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide

PF-2771 is a potent and selective centromere protein E (CENP-E) inhibitor, inhibiting CENP-E motor activity with an IC50 of 16·1 nM; PF-2771 is used as an anticancer agent

ChemicalCAS2070009-55-9MW554.08FormulaC29H36ClN5O4
CAS number
2070009-55-9
Molecular weight
554.08
Formula
C29H36ClN5O4
Solubility
DMSO ： ≥ 32 mg/mL (57·75 mM)
InChIKey
VHBJNUOZEQTSNN-QHCPKHFHSA-N
Catalogue number
GC34297
Brand
GLPBIO
Computed properties PubChem CID 118704759 · XLogP 3.8 · TPSA 106 Ų · H-bond donors 2
XLogP
3.8
TPSA
106 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
12
Heavy atoms
39

SMILES CC(C)OC1=C(C=C(C=C1)C(=O)N[C@@H](CC2=CC=C(C=C2)C3=CN(C(=N3)C(=O)C)C)CNC(=O)CN(C)C)Cl

Computed descriptors from PubChem (CID 118704759), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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