MSC2530818
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MedKoo CAT#: 406828

CAS#: 1883423-59-3

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.


Chemical Structure

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MSC2530818
CAS# 1883423-59-3

Theoretical Analysis

MedKoo Cat#: 406828
Name: MSC2530818
CAS#: 1883423-59-3
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

Price and Availability

Size Price Availability Quantity
100.0mg USD 1250.0 2 Weeks
200.0mg USD 1850.0 2 Weeks
500.0mg USD 2750.0 2 Weeks
1.0g USD 3850.0 2 Weeks
2.0g USD 6850.0 2 Weeks
5.0g USD 12450.0 2 Weeks
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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

Preparing Stock Solutions

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.

Recalculate based on batch purity %
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

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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.

MSC2530818

100.0mg / USD 1250.0