≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,Store at -20°C,Desiccated Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
CCT-251921 is a potent, selective, and orally bioavailable CDK8 inhibitor with an IC 50 of 2.3 nM.
In Vitro
CCT-251921 has acceptable aqueous solubility and demonstrates minimal activity when tested in a panel of 55 receptors, ion channels, and enzymes at 1 μM and in a panel of 279 kinases; weak inhibition of CYPs is observed. CCT-251921 demonstrates potent inhibition of reporter-based readouts measuring basal WNT pathway activity in human cancer cell lines that have constitutively activated WNT pathway signaling: LS174T (β-catenin mutant), SW480 and Colo205 (APC mutant) or PA-1 human teratocarcinoma cells that are WNT ligand dependent. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo
CCT-251921 shows improved oral pharmacokinetics and pharmaceutical properties in order to facilitate further evaluation of CDK8/19 pharmacology and progression into preclinical efficacy and safety studies. In APC-mutant SW620 human colorectal carcinoma xenograft model, CCT-251921 treatment reduces mice tumor weight (54.2%) at day 15. The inhibition of STAT1 SER727 phosphorylation is maintained for more than 6 h after the last dose . MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
IC50& Target:CDK8 2.3 nM (IC 50 ) CDK19 2.6 nM (IC 50 )
| 정식 스마일 | CN1C2=C(C=C(C=C2)C3=CN=C(C(=C3N4CCC5(CCNC5=O)CC4)Cl)N)C=N1 |
|---|---|
| IUPAC Name | 8-[2-amino-3-chloro-5-(1-methylindazol-5-yl)pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one |
| InChIKey | VPJXPDLMACOGIZ-UHFFFAOYSA-N |
| 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) |
| 이성체 SMILES | CN1C2=C(C=C(C=C2)C3=CN=C(C(=C3N4CCC5(CCNC5=O)CC4)Cl)N)C=N1 |
| PubChem CID | 74222277 |
| 분자량 | 410.90 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| 분류 | Azaspirodecane derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Azaspirodecane derivatives |
| Alternative Parents | Indazoles Dialkylarylamines Aminopyridines and derivatives Aryl chlorides Benzenoids Pyrrolidine-2-ones Imidolactams Piperidines Pyrazoles Heteroaromatic compounds Amino acids and derivatives Lactams Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Primary amines |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Azaspirodecane - Indazole - Benzopyrazole - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aminopyridine - Piperidine - Pyridine - Pyrrolidone - 2-pyrrolidone - Imidolactam - Benzenoid - Aryl halide - Aryl chloride - Heteroaromatic compound - Pyrazole - Pyrrolidine - Azole - Amino acid or derivatives - Tertiary amine - Carboxamide group - Secondary carboxylic acid amide - Lactam - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Primary amine - Aromatic heteropolycyclic compound |
| 설명 | This compound belongs to the class of organic compounds known as azaspirodecane derivatives. These are organic compounds containing a spirodecane moiety with at least one nitrogen atom. |
| External Descriptors | Not available |
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| 용해성 | DMSO : 25 mg/mL (60.84 mM; ultrasonic and warming and heat to 60°C) |
|---|---|
| 분자량 | 410.900 g/mol |
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 410.162 Da |
| Monoisotopic Mass | 410.162 Da |
| Topological Polar Surface Area | 89.100 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 626.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
