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Chemical structure of Aurora B inhibitor 1

GC33379

Aurora B inhibitor 1

Also known as (5-chloro-2-fluorophenyl)-[(3S)-3-[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxypyrrolidin-1-yl]methanone

Aurora B inhibitor 1 is an Aurora B (Aurora-1) inhibitor extracted from patent WO2007059299A1, compound 1-3, has a Ki value of <0·010 uM

ChemicalCAS937276-52-3MW529.97FormulaC25H26ClF2N7O2
CAS number
937276-52-3
Molecular weight
529.97
Formula
C25H26ClF2N7O2
Solubility
Soluble in DMSO
InChIKey
SLUHYAXFRJQTGB-KRWDZBQOSA-N
Catalogue number
GC33379
Brand
GLPBIO
Computed properties PubChem CID 16731225 · XLogP 4.7 · TPSA 99.3 Ų · H-bond donors 2
XLogP
4.7
TPSA
99.3 Ų
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
37

SMILES CC1=CC(=NN1)NC2=CC(=NC(=N2)O[C@H]3CCN(C3)C(=O)C4=C(C=CC(=C4)Cl)F)N5CC(C5)(C6CC6)F

Computed descriptors from PubChem (CID 16731225), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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