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Chemical structure of Palbociclib-propargyl

GC61395

Palbociclib-propargyl

Also known as 6-acetyl-8-cyclopentyl-5-methyl-2-[[5-(4-prop-2-ynylpiperazin-1-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one

Palbociclib-propargyl is a ligand for target protein CDK6 for PROTAC, and binds to CRBN ligand via a PEG linker to make a PROTAC CP-10· CP-10 shows a DC50 of 2·1 nM for CDK6

ChemicalCAS2366269-23-8MW485.58FormulaC27H31N7O2
CAS number
2366269-23-8
Molecular weight
485.58
Formula
C27H31N7O2
InChIKey
SLFZXPQZLOODKL-UHFFFAOYSA-N
Catalogue number
GC61395
Brand
GLPBIO
Computed properties PubChem CID 139600348 · XLogP 2.4 · TPSA 94.6 Ų · H-bond donors 1
XLogP
2.4
TPSA
94.6 Ų
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
36

SMILES CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCN(CC4)CC#C)C5CCCC5)C(=O)C

Computed descriptors from PubChem (CID 139600348), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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