Structure

CDK-IN-9

CAS
3031561-92-6
Catalog Number
ACM-MG-3031561926
Category
Molecular Glues
Molecular Weight
420.53
Molecular Formula
C21H24N8S

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Specification

Description
CDK-IN-9 (compound 24) is a potent CDK inhibitor, also as a molecular glue inducing an interaction between CDK12 and DDB1, with an IC50 values of 4 nM for CDK2/E. CDK-IN-9 leads to polyubiquitination of cyclin K and its subsequent degradation. CDK-IN-9 induce apoptosis through dephosphorylation of retinoblastoma protein and RNA polymerase II.
IUPAC Name
5-(2-aminoethylsulfanyl)-3-cyclobutyl-N-[(4-pyrazol-1-ylphenyl)methyl]-2H-pyrazolo[4,3-d]pyrimidin-7-amine
SMILES
NCCSC1=NC2=C(NN=C2C(NCC3=CC=C(C=C3)N4C=CC=N4)=N1)C5CCC5
InChI
InChI=1S/C21H24N8S/c22-9-12-30-21-25-18-17(15-3-1-4-15)27-28-19(18)20(26-21)23-13-14-5-7-16(8-6-14)29-11-2-10-24-29/h2,5-8,10-11,15H,1,3-4,9,12-13,22H2,(H,27,28)(H,23,25,26)
InChI Key
MJACTWDJXKRKAV-UHFFFAOYSA-N
Shipping
Generally, shipped at room temperature in continental US; may vary elsewhere.
Storage Conditions
Please store the product under the recommended conditions.

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