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Palbociclib-[d8]

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Palbociclib-[d8]

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General Information
Catalog: BLP-012503
CAS: 1628752-83-9
Molecular Formula: C24H21D8N7O2
Molecular Weight: 455.58

Chemical Structure

Description	Palbociclib-[d8] is the labelled analogue of Palbociclib, which is a selective cyclin-dependent kinase (CDK) 4/6 inhibitor to treat ER-positive and HER2-negative breast cancer.
Synonyms	Palbociclib D8; 6-Acetyl-8-cyclopentyl-5-methyl-2-[[5-(piperazin-1-yl)pyridin-2-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one-d8
IUPAC Name	6-acetyl-8-cyclopentyl-5-methyl-2-[[5-(2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl)pyridin-2-yl]amino]pyrido[2,3-d]pyrimidin-7-one
Related CAS	571190-30-2 (unlabelled)
Canonical SMILES	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C
InChI	InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29)/i9D2,10D2,11D2,12D2
InChI Key	AHJRHEGDXFFMBM-PMCMNDOISA-N
Boiling Point	711.5±70.0 °C at 760 mmHg
Purity	95% by HPLC; 95% atom D
Density	1.3±0.1 g/cm3