CCT251921

• CAT Number: I005900
• CAS Number: 1607837-31-9
• Molecular Formula: C21H23ClN6O
• Molecular Weight: 410.906
• Purity: ≥95%
• Target: CDK19 inhibitor
• Solubility: Soluble in DMSO, not in water
• Storage: 0 - 4°C for short term ,or -20 °C for long term
• IC50: IC50 data: CDK8:=2.3 nM; CDK19 = 2.6 Nm
• InChI: InChI=1S/C21H23ClN6O/c1-27-16-3-2-13(10-14(16)11-26-27)15-12-25-19(23)17(22)18(15)28-8-5-21(6-9-28)4-7-24-20(21)29/h2-3,10-12H,4-9H2,1H3,(H2,23,25)(H,24,29)
• InChIKey: VPJXPDLMACOGIZ-UHFFFAOYSA-N
• SMILES: O=C1NCCC12CCN(C3=C(Cl)C(N)=NC=C3C4=CC5=C(N(C)N=C5)C=C4)CC2

CCT251921 is a potent, selective, and orally bioavailable small-molecule modulators of the mediator complex-associated kinases CDK8 and CDK19. (IC50 data: CDK8:=2.3 nM; CDK19 = 2.6 nM). CCT251921 showed the optimal compromise of in vitro biochemical, pharmacokinetic, and physicochemical properties and is suitable for progression to animal models of cancer. The Mediator complex-associated cyclin-dependent kinase CDK8 has been implicated in human disease, particularly in colorectal cancer where it has been reported as a putative oncogene.

Reference

Discovery of Potent, Selective, and Orally Bioavailable Small-Molecule Modulators of the Mediator Complex-Associated Kinases CDK8 and CDK19. Aurélie Mallinger, Kai Schiemann, Christian Rink, Frank Stieber, Michel Calderini, Simon Crumpler, Mark Stubbs, Olajumoke Adeniji-Popoola, Oliver Poeschke, Michael Busch, Paul Czodrowski, Djordje Musil, Daniel Schwarz, Maria-Jesus Ortiz-Ruiz, Richard Schneider, Ching Thai, Melanie Valenti, Alexis de Haven Brandon, Rosemary Burke, Paul Workman, Trevor Dale, Dirk Wienke, Paul A. Clarke, Christina Esdar, Florence I. Raynaud, Suzanne A. Eccles, Felix Rohdich, and Julian Blagg, Publication Date (Web): January 21, 2016 (Article), DOI: 10.1021/acs.jmedchem.5b01685