MedKoo Cat#: 206577 | Name: CCT251921
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

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.

Chemical Structure

CCT251921
CAS# 1607837-31-9

Theoretical Analysis

MedKoo Cat#: 206577

Name: CCT251921

CAS#: 1607837-31-9

Chemical Formula: C21H23ClN6O

Exact Mass: 410.1622

Molecular Weight: 410.91

Elemental Analysis: C, 61.38; H, 5.64; Cl, 8.63; N, 20.45; O, 3.89

Price and Availability

Size Price Availability Quantity
5mg USD 350.00 2 Weeks
10mg USD 550.00 2 Weeks
25mg USD 950.00 2 Weeks
50mg USD 1,650.00 2 Weeks
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Related CAS #
1431697-96-9 (HCl) 1262849-73-9 (free Base)
Synonym
CCT251921; CCT-251921; CCT 251921;
IUPAC/Chemical Name
8-(2-amino-3-chloro-5-(1-methyl-1H-indazol-5-yl)pyridin-4-yl)-2,8-diazaspiro[4.5]decan-1-one
InChi Key
VPJXPDLMACOGIZ-UHFFFAOYSA-N
InChi Code
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)
SMILES Code
O=C1NCCC12CCN(C3=C(Cl)C(N)=NC=C3C4=CC5=C(N(C)N=C5)C=C4)CC2
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, not in water
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
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 410.91 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
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