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Background Information of CDK9-IN-37

CDK9-IN-37 (Compound 43) is a highly selective and potent CDK9 kinase inhibitor with an IC50 of 1.67±0.363 μM. CDK9 is a key regulator of transcription elongation in eukaryotic cells and has been considered as a potential drug target for several diseases including cardiac hypertrophy and certain cancers such as a variety of blood cancers as well as solid tumors.

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Mechanism and Indications

Signaling Pathways Cell Cycle/DNA Damage
Target CDK
Research Area Cancer

Clinical Information

Product Name Sponsor & Collaborators Indications Start Date End Date Phase

Chemical Information

M.Wt Formula CAS No. Synonyms
481.05 C23H33ClN4O3S Compound 43

Structure Information of CDK9-IN-37

Smiles S1C=C(C2C(Cl)=CN=C(O[[email protected]@H]3CC[[email protected]@H](NCCOC)CC3)C=2)N=C1NCC1CCOCC1 |&1:10,13|
InChI InChI=1S/C23H33ClN4O3S/c1-29-11-8-25-17-2-4-18(5-3-17)31-22-12-19(20(24)14-26-22)21-15-32-23(28-21)27-13-16-6-9-30-10-7-16/h12,14-18,25H,2-11,13H2,1H3,(H,27,28)/t17-,18-

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Chemical and Physical Properties

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[1].Beilei Wang, et al. Discovery of 4-(((4-(5-chloro-2-(((1s,4s)-4-((2-methoxyethyl)amino)cyclohexyl)amino)pyridin-4-yl)thiazol-2-yl)amino)methyl)tetrahydro-2H-pyran-4-carbonitrile (JSH-150) as a novel highly selective and potent CDK9 kinase inhibitor. Eur J Med Chem. 13 September 2018.
Through a structure-guided rational drug design approach, we have discovered a highly selective inhibitor compound 40 (JSH-150), which exhibited an IC50 of 1 nM against CDK9 kinase in the biochemical assay and achieved around 300–10000-fold selectivity over other CDK kinase family members. In addition, it also displayed high selectivity over other 468 kinases/mutants (KINOMEscan S score(1) = 0.01). Compound 40 displayed potent antiproliferative effects against melanoma, neuroblastoma, hepatoma, colon cancer, lung cancer as well as leukemia cell lines. It could dose-dependently inhibit the phosphorylation of RNA Pol II, suppress the expression of MCL-1 and C-Myc, arrest the cell cycle and induce the apoptosis in the leukemia cells. In the MV4-11 cell-inoculated xenograft mouse model, 10 mg/kg dosage of 40 could almost completely suppress the tumor progression. The high selectivity and good in vivo PK/PD profile suggested that 40 would be a good pharmacological tool to study CDK9-mediated physiology and pathology as well as a potential drug candidate for leukemia and other cancers.

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