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Chemical structure of Abemaciclib metabolite M2

GC35218

Abemaciclib metabolite M2

Also listed as Abemaciclib Metabolites M2

Abemaciclib Metabolites M2 (LSN2839567) is a metabolite of Abemaciclib, acts as a potent CDK4 and CDK6 inhibitor, with IC50s of 1·2 and 1·3 nM, respectively· Anti-cancer activity

ChemicalCAS1231930-57-6MW478.54FormulaC25H28F2N8
CAS number
1231930-57-6
Molecular weight
478.54
Formula
C25H28F2N8
Solubility
Soluble in DMSO
InChIKey
IXGZDCRFGCEEBU-UHFFFAOYSA-N
Catalogue number
GC35218
Brand
GLPBIO
Computed properties PubChem CID 59376686 · XLogP 3 · TPSA 83.8 Ų · H-bond donors 2
XLogP
3
TPSA
83.8 Ų
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
6
Heavy atoms
35

SMILES CC1=NC2=C(N1C(C)C)C=C(C=C2F)C3=NC(=NC=C3F)NC4=NC=C(C=C4)CN5CCNCC5

Computed descriptors from PubChem (CID 59376686), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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