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Chemical structure of PF-03814735

GC18074

PF-03814735

Also known as N-[2-[(1R,8S)-4-[[4-(cyclobutylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-11-yl]-2-oxoethyl]acetamide

PF-03814735 is a potent, orally bioavailable, reversible inhibitor of both Aurora1 and Aurora2 kinases with IC50 values of 0·8nM and 5nM, respectively [1]

ChemicalCAS942487-16-3MW474.48FormulaC23H25F3N6O2
CAS number
942487-16-3
Molecular weight
474.48
Formula
C23H25F3N6O2
Solubility
DMF： 20 mg/ml,DMSO： 16 mg/ml,Ethanol： 20 mg/ml,Ethanol：PBS (pH 7·2) (1：9)： 0·10 mg/ml
InChIKey
RYYNGWLOYLRZLK-RBUKOAKNSA-N
Catalogue number
GC18074
Brand
GLPBIO
Computed properties PubChem CID 51346455 · XLogP 3 · TPSA 99.3 Ų · H-bond donors 3
XLogP
3
TPSA
99.3 Ų
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
6
Heavy atoms
34

SMILES CC(=O)NCC(=O)N1[C@H]2CC[C@@H]1C3=C2C=CC(=C3)NC4=NC=C(C(=N4)NC5CCC5)C(F)(F)F

Computed descriptors from PubChem (CID 51346455), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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