Name: CDK ligand for PROTAC hydrochloride
Rating: 5 (10 reviews)

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HIT ID:HIT212671710
Cas No:2704316-82-3
常用名:CDK ligand for PROTAC hydrochloride
常用名:CDK ligand for PROTAC hydrochloride
IUPAC:{4-fluoro-6-[5-fluoro-2-({5-[(piperazin-1-yl)methyl]pyridin-2-yl}amino)pyrimidin-4-yl]-1-(propan-2-yl)-1H-1,3-benzodiazol-2-yl}methanol hydrochloride
IUPAC:{4-fluoro-6-[5-fluoro-2-({5-[(piperazin-1-yl)methyl]pyridin-2-yl}amino)pyrimidin-4-yl]-1-(propan-2-yl)-1H-1,3-benzodiazol-2-yl}methanol hydrochloride
InChI key:WGFYSOPSZMTSSV-UHFFFAOYSA-N

分子式:C25H29ClF2N8O
分子量:531.01
氢键供体数 (HBD):3
氢键受体数 (HBA):8
LogP:2.609696
SMILES:Cl.CC(C)n1c(CO)nc2c(F)cc(cc12)-c1nc(Nc2ccc(CN3CCNCC3)cn2)ncc1F
SMILES:Cl.CC(C)n1c(CO)nc2c(F)cc(cc12)-c1nc(Nc2ccc(CN3CCNCC3)cn2)ncc1F

LSN3106729 hydrochloride, the metabolite of Abemaciclib , is a CDK inhibitor with antitumor activity. LSN3106729 hydrochloride and a CRBN ligand have been used to design PROTAC CDK4/6 degrader[1].

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