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Chemical structure of PD 0332991-d8

GC40092

PD 0332991-d8

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

Palbociclib D8 (PD 0332991 D8) is a deuterium labeled Palbociclib· Palbociclib is a selective and orally active CDK4 and CDK6 inhibitor with IC50s of 11 and 16 nM, respectively· Palbociclib has the potential for ER-positive and HER2-negative breast cancer research

ChemicalCAS1628752-83-9MW455.6FormulaC24H21D8N7O2
CAS number
1628752-83-9
Molecular weight
455.6
Formula
C24H21D8N7O2
Solubility
Soluble in DMSO
InChIKey
AHJRHEGDXFFMBM-PMCMNDOISA-N
Catalogue number
GC40092
Brand
GLPBIO
Computed properties PubChem CID 76974685 · XLogP 1.8 · TPSA 103 Ų · H-bond donors 2
XLogP
1.8
TPSA
103 Ų
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
33

SMILES [2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C)([2H])[2H])[2H]

Computed descriptors from PubChem (CID 76974685), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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