Palbociclib-propargyl

• CAT Number: I017714
• CAS Number: 2366269-23-8
• Molecular Formula: C27H31N7O2
• Molecular Weight: 485.58
• Purity: ≥95%
• Synonyms: 6-acetyl-8-cyclopentyl-5-methyl-2-[[5-(4-prop-2-ynylpiperazin-1-yl)pyridin-2-yl]amino]pyrido[2,3-d]pyrimidin-7-one
• InChI: InChI=1S/C27H31N7O2/c1-4-11-32-12-14-33(15-13-32)21-9-10-23(28-16-21)30-27-29-17-22-18(2)24(19(3)35)26(36)34(25(22)31-27)20-7-5-6-8-20/h1,9-10,16-17,20H,5-8,11-15H2,2-3H3,(H,28,29,30,31)
• InChIKey: SLFZXPQZLOODKL-UHFFFAOYSA-N
• SMILES: CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCN(CC4)CC#C)C5CCCC5)C(=O)C

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[1]. Palbociclib-propargyl is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.

Reference

[1]. Su S, et al. Potent and Preferential Degradation of CDK6 via Proteolysis Targeting Chimera Degraders. J Med Chem. 2019 Aug 22;62(16):7575-7582.
 [Content Brief]