MSC2530818 is a CDK8 inhibitor with an IC50 of 2.6 nM. It has good kinase selectivity, biochemical and cellular efficacy, microsomal stability, and biooral activity.

 

Brand: BCM

 

Target: CDK

 

Signaling Pathways: Cell Cycle/Checkpoint

 

In Vitro: MSC2530818 binds to CDK8 and CDK19 with a similar affinity (4 nM). Potent inhibition of phospho-STAT1SER727, an established biomarker of CDK8 activity, in SW620 human colorectal carcinoma cells is also observed (pSTAT1SER727 IC50=8±2 nM). MSC2530818 demonstrates potent inhibition of WNT-dependent transcription in human cancer cell lines that have constitutively activated WNT signaling. For example, MSC2530818 inhibits the reporter-based luciferase readout in several cell lines bearing activating WNT-pathway mutations; LS174T (β-catenin mutant, IC50=32±7 nM), COLO205 (APC mutant, IC50=9±1 nM) and demonstrates inhibition of WNT3a ligand-dependent reporter readout in PA-1 cells (IC50=52±30 nM). Furthermore, MSC2530818 is a low efflux ratio in Caco-2 cells and does not inhibit any cytochrome P450 subtypes.

 

Boiling Point: 576.5±50.0 °C(Predicted)

 

pKa: 9.65±0.40(Predicted)

 

Solubility: Soluble in DMSO; Soluble in Ethanol. Insoluble in Water.

 

GHS: GHS07

 

Isomeric SMILES: CC1=C2C=C(C=NC2=NN1)C(=O)N3CCC[C@H]3C4=CC=C(C=C4)Cl  

 

InChIKey: ODRITQGYYWHQGM-INIZCTEOSA-N  

 

InChI: InChI=1S/C18H17ClN4O/c1-11-15-9-13(10-20-17(15)22-21-11)18(24)23-8-2-3-16(23)12-4-6-14(19)7-5-12/h4-7,9-10,16H,2-3,8H2,1H3,(H,20,21,22)/t16-/m0/s1

 

Attribute
[CAS No.]	1883423-59-3
[Formula]	C18H17ClN4O
[Molecular]	340.81
[Chem Name]	[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone
[Synonym]	MSC2530818
[Storage]	Sealed in dry, 2-8°C
[MDL No.]	MFCD31382190
[Form]	A crystalline solid

Goods Tag