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Chemical structure of XL413 (BMS-863233)

GC26084

XL413 (BMS-863233)

Also known as 8-chloro-2-[(2S)-pyrrolidin-2-yl]-3H-[1]benzofuro[3,2-d]pyrimidin-4-one;hydrochloride

XL413 (BMS-863233) is a potent and selective cell division cycle 7 homolog (CDC7) kinase inhibitor with IC50 of 3·4 nM, showing 63-, 12- and 35-fold selectivity over CK2, Pim-1 and pMCM2, respectively· Phase 1/2

ChemicalCAS1169562-71-3MW326.18FormulaC14H13Cl2N3O2
CAS number
1169562-71-3
Molecular weight
326.18
Formula
C14H13Cl2N3O2
Solubility
DMSO： Insoluble;Water： 46 mg/mL (141·03 mM);Ethanol： Insoluble
InChIKey
UNDKJUKLBNARIZ-FVGYRXGTSA-N
Catalogue number
GC26084
Brand
GLPBIO
Computed properties PubChem CID 135564631 · TPSA 66.6 Ų · H-bond donors 3 · H-bond acceptors 4
TPSA
66.6 Ų
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
21

SMILES C1C[C@H](NC1)C2=NC3=C(C(=O)N2)OC4=C3C=C(C=C4)Cl.Cl

Computed descriptors from PubChem (CID 135564631), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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