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Background Information of CDK9-IN-21

CDK9-IN-21 (Compound 27) is a highly selective and potent CDK9 kinase inhibitor with an IC50 of 0.253±0.024 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
459.65 C24H37N5O2S Compound 27

Structure Information of CDK9-IN-21

Smiles [[email protected]@H]1(NCCOC)CC[[email protected]@H](NC2=NC=C(C)C(C3=CSC(NCC4CCOCC4)=N3)=C2)CC1 |&1:0,8|
InChI InChI=1S/C24H37N5O2S/c1-17-14-26-23(28-20-5-3-19(4-6-20)25-9-12-30-2)13-21(17)22-16-32-24(29-22)27-15-18-7-10-31-11-8-18/h13-14,16,18-20,25H,3-12,15H2,1-2H3,(H,26,28)(H,27,29)/t19-,20-

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Other Form Products of CDK9-IN-21

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CDK9-IN-6 1391855-95-0 C27H37ClN6O2 5
ML167 1285702-20-6 C19H17N3O3 15
AMG 925 1401033-86-0 C26H29N7O2 15
LDC000067 1073485-20-7 C18H18N4O3S 11
LEE011 (succinate hydrate) 1374639-79-8 C27H38N8O6X 8
LEE011 (succinate) 1374639-75-4 C27H36N8O5 9
LEE011 (hydrochloride) 1211443-80-9 C23H31ClN8O 8
LEE011 1211441-98-3 C23H30N8O 21
WHI-P180 (hydrochloride) 153437-55-9 C16H16ClN3O3 6
Wogonin 632-85-9 C16H12O5 28
1-NM-PP1 221244-14-0 C20H21N5 17
WHI-P180 211555-08-7 C16H15N3O3 13
THZ1 1604810-83-4 C31H28ClN7O2 18
Senexin A 1366002-50-7 C17H14N4 8
CDK4-IN-1 1256963-02-6 C22H29ClN8 9
Palbociclib (hydrochloride) 827022-32-2 C24H30ClN7O2 16
Purvalanol B 212844-54-7 C20H25ClN6O3 22

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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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