WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 406828
Description: MSC2530818 is a Potent, Selective, and Orally Bioavailable CDK8 Inhibitor with CDK8 IC50 = 2.6 nM; Human PK prediction: Cl ~ 0.14 L/H/Kg; t1/2 ~ 2.4h; F > 75%. MSC2530818 displays excellent kinase selectivity, biochemical and cellular potency, microsomal stability, and is orally bioavailable. MSC2530818 demonstrates suitable potency and selectivity to progress into preclinical in vivo efficacy and safety studies.
MedKoo Cat#: 406828
Chemical Formula: C18H17ClN4O
Exact Mass: 340.1091
Molecular Weight: 340.811
Elemental Analysis: C, 63.44; H, 5.03; Cl, 10.40; N, 16.44; O, 4.69
Synonym: MSC2530818; MSC-2530818; MSC 2530818.
IUPAC/Chemical Name: [(2S)-2-(4-Chlorophenyl)pyrrolidin-1-yl]-(3-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)methanone
InChi Key: ODRITQGYYWHQGM-INIZCTEOSA-N
InChi Code: 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
SMILES Code: O=C(N1[C@H](C2=CC=C(Cl)C=C2)CCC1)C3=CN=C(NN=C4C)C4=C3
Appearance: Solid powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: Soluble in DMSO
Shelf Life: >2 years if stored properly
Drug Formulation: This drug may be formulated in DMSO
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
The following data is based on the product molecular weight 340.811 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
|Concentration / Solvent Volume / Mass||1 mg||5 mg||10 mg|
|1 mM||1.15 mL||5.76 mL||11.51 mL|
|5 mM||0.23 mL||1.15 mL||2.3 mL|
|10 mM||0.12 mL||0.58 mL||1.15 mL|
|50 mM||0.02 mL||0.12 mL||0.23 mL|
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.