For research use only. Not for therapeutic Use.
MSC2530818（Cat No.:I008172）is a potent inhibitor of CDK8, with an IC50 value of 2.6 nM. It exhibits good kinase selectivity, demonstrating high affinity specifically towards CDK8. The compound possesses strong biochemical and cellular potency, effectively inhibiting CDK8 activity. It also demonstrates favorable microsomal stability, making it suitable for further development as a drug candidate. Furthermore, MSC2530818 exhibits biological activity when administered orally, indicating its potential for oral administration in therapeutic applications.
| Catalog Number | I008172 |
| CAS Number | 1883423-59-3 |
| Synonyms | MSC2530818; MSC-2530818; MSC 2530818.;[(2S)-2-(4-Chlorophenyl)pyrrolidin-1-yl]-(3-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)methanone |
| Molecular Formula | C₁₈H₁₇ClN₄O |
| Purity | ≥95% |
| Target | CDK8 Inhibitor |
| Solubility | Soluble in DMSO |
| Storage | Store at -20°C |
| IC50 | 2.6 nM |
| IUPAC Name | [(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone |
| 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 |
| InChIKey | ODRITQGYYWHQGM-INIZCTEOSA-N |
| SMILES | CC1=C2C=C(C=NC2=NN1)C(=O)N3CCC[C@H]3C4=CC=C(C=C4)Cl |
| Reference | </br>1: Czodrowski P, Mallinger A, Wienke D, Esdar C, Poeschke O, Busch M, Rohdich F, Eccles SA, Ortiz Ruiz MJ, Schneider R, Raynaud FI, Clarke PA, Musil D, Schwarz D, Dale TC, Urbahns K, Blagg J, Schiemann K. Structure-based optimization of potent, selective and orally bioavailable CDK8 inhibitors discovered by high throughput screening. J Med Chem. 2016 Aug 4. [Epub ahead of print] PubMed PMID: 27490956. |
