Name: Palbociclib-propargyl
Rating: 5 (10 reviews)

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HIT ID:HIT212668169
Cas No:2366269-23-8
常用名:Palbociclib-propargyl
别名:PROTAC CDK6 ligand 1
IUPAC:6-acetyl-8-cyclopentyl-5-methyl-2-({5-[4-(prop-2-yn-1-yl)piperazin-1-yl]pyridin-2-yl}amino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
IUPAC:6-acetyl-8-cyclopentyl-5-methyl-2-({5-[4-(prop-2-yn-1-yl)piperazin-1-yl]pyridin-2-yl}amino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
InChI key:SLFZXPQZLOODKL-UHFFFAOYSA-N

分子式:C27H31N7O2
分子量:485.592
氢键供体数 (HBD):1
氢键受体数 (HBA):8
LogP:3.401
SMILES:CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCN(CC#C)CC3)nc2n(C2CCCC2)c1=O
SMILES:CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCN(CC#C)CC3)nc2n(C2CCCC2)c1=O

Palbociclib-propargyl, a PROTAC ligand targeting the protein CDK6, connects to the CRBN ligand through a PEG linker to form PROTAC CP-10. CP-10 exhibits a potent DC50 value of 2.1 nM against CDK6[1].

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