CCT251545 - Moligand™, ≥99% , Inhibitor of cyclin dependent kinase 19;Inhibitor of cyclin dependent kinase 8, CAS No.1661839-45-7, Inhibitor of cyclin dependent kinase 19;Inhibitor of cyclin dependent kinase 8

CAS: 1661839-45-7 Cat. No.: C413899 Molecular Weight: 421.92

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CCT251545 - Moligand™, ≥99% CAS No(1661839-45-7) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY Moligand™ ? ≥99%

Synonyms

2,8-Diazaspiro[4.5]decan-1-one,8-[3-chloro-5-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]-4-pyridinyl]-

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

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Why this grade

Moligand™, ≥99% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C,Argon charged Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Information

CCT251545 CCT251545 is a potent, orally bioavailable inhibitor of WNT signaling with IC50 of 5 nM in 7dF3 cells. CCT251545 also act as a selective chemical probe for exploring the role of CDK8 and CDK19 in human disease.

Targets

CDK8 ; CDK19 ; Wnt (in 7dF3 cells) ; 5 nM

In vitro

The suppression of the WNT pathway activity by CCT251545 is not unique to a specific cell line, is independent of exogenous WNT pathway stimulation, does not result from destabilization of TCF1 or TCF4, and is not due to interference with the luciferase-based reporter readout. CCT251545 also demonstrates a lack of transporter-mediated efflux and a lack of activity across broad in vitro panels of enzyme, receptor, and ion channel targets.

In vivo

CCT251545 is a potent small-molecule inhibitor of WNT signaling with good oral pharmacokinetics. We demonstrate inhibition of WNT pathway activity in a solid human tumor xenograft model with evidence for tumor growth inhibition following oral dosing.

Cell Research(from reference)

Cell lines：7dF3 cells, HEK293 cells, SW480, LS174T, COLO205 human colorectal cancer cells

Concentrations：9.1 μM - 0.068 nM

Incubation Time：2 h, 6 h

Specifications

Synonyms

2, 8-Diazaspiro[4.5]decan-1-one, 8-[3-chloro-5-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]-4-pyridinyl]-

Specifications & Purity

Moligand™, ≥99%

Biochemical and Physiological Mechanisms

CCT251545 is a potent, orally bioavailable inhibitor of WNT signaling with IC50 of 5 nM in 7dF3 cells. CCT251545 also act as a selective chemical probe for exploring the role of CDK8 and CDK19 in human disease.

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of cyclin dependent kinase 19;Inhibitor of cyclin dependent kinase 8

Purity

≥99%

Names and Identifiers

Canonical Smiles	CN1C=C(C=N1)C2=CC=C(C=C2)C3=CN=CC(=C3N4CCC5(CCNC5=O)CC4)Cl
IUPAC Name	8-[3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one
InChIKey	LBFYQISQYCGDDW-UHFFFAOYSA-N
INCHI	1S/C23H24ClN5O/c1-28-15-18(12-27-28)16-2-4-17(5-3-16)19-13-25-14-20(24)21(19)29-10-7-23(8-11-29)6-9-26-22(23)30/h2-5,12-15H,6-11H2,1H3,(H,26,30)
Isomeric SMILES	CN1C=C(C=N1)C2=CC=C(C=C2)C3=CN=CC(=C3N4CCC5(CCNC5=O)CC4)Cl
MeSH Entry Terms	8-(3-chloro-5-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)pyridin-4-yl)-2,8-diazaspiro(4.5)decan-1-one;CCT251545
Molecular Weight	421.92
Reaxy-Rn	28916227
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28916227&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridines and derivatives
    - Subclass Phenylpyridines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Phenylpyridines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpyridines
Alternative Parents	Phenylpyrazoles Azaspirodecane derivatives Dialkylarylamines Aminopyridines and derivatives Pyrrolidine-2-ones Piperidines Aryl chlorides Benzene and substituted derivatives Heteroaromatic compounds Lactams Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	3-phenylpyridine - Phenylpyrazole - Azaspirodecane - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aminopyridine - Aryl chloride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Piperidine - 2-pyrrolidone - Pyrrolidone - Heteroaromatic compound - Azole - Pyrazole - Pyrrolidine - Secondary carboxylic acid amide - Amino acid or derivatives - Tertiary amine - Carboxamide group - Lactam - Azacycle - Carboxylic acid derivative - Organic oxygen compound - Organohalogen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organic oxide - Organooxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D Structure

Associated Targets(Human)

CDK8 Tchem Cyclin-dependent kinase 8 (2 Activities)

Discover Target: CDK8

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CDK19 Tchem Cyclin-dependent kinase 19 (1 Activities)

Discover Target: CDK19

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

WNT3A Tchem Protein Wnt-3a (1 Activities)

Discover Target: WNT3A

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)

Discover Target: ABL1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2C8 Tchem Cytochrome P450 2C8 (1492 Activities)

Discover Target: CYP2C8

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)

Discover Target: GSK3B

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CSNK1D Tchem Casein kinase I delta (4546 Activities)

Discover Target: CSNK1D

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GSK3A Tclin Glycogen synthase kinase-3 alpha (3764 Activities)

Discover Target: GSK3A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)

Discover Target: CDK2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PRKCQ Tchem Protein kinase C theta (3319 Activities)

Discover Target: PRKCQ

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

Discover Target: CYP2C9

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

AURKA Tchem Serine/threonine-protein kinase Aurora-A (10240 Activities)

Discover Target: AURKA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

COLO 205 (50209 Activities)

Lot Number	Certificate Type	Date	Item
G2402240	Certificate of Analysis	Mar 18, 2024	C413899
G2402241	Certificate of Analysis	Mar 18, 2024	C413899
G2402242	Certificate of Analysis	Mar 18, 2024	C413899
G2402265	Certificate of Analysis	Mar 18, 2024	C413899
G2402266	Certificate of Analysis	Mar 18, 2024	C413899
G2402274	Certificate of Analysis	Mar 18, 2024	C413899
G2402275	Certificate of Analysis	Mar 18, 2024	C413899
G2402292	Certificate of Analysis	Mar 18, 2024	C413899
G2402293	Certificate of Analysis	Mar 18, 2024	C413899
G2402294	Certificate of Analysis	Mar 18, 2024	C413899

Solubility	Solubility (25°C) In vitro DMSO: 30 mg/mL (71.1 mM); Ethanol: 5 mg/mL (11.85 mM); Water: Insoluble;
Molecular Weight	421.900 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	421.167 Da
Monoisotopic Mass	421.167 Da
Topological Polar Surface Area	63.100 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	617.000
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

CCT251545 - Moligand™, ≥99% , Inhibitor of cyclin dependent kinase 19;Inhibitor of cyclin dependent kinase 8, CAS No.1661839-45-7, Inhibitor of cyclin dependent kinase 19;Inhibitor of cyclin dependent kinase 8

Why this grade

Storage & shipping

Quality documents

Literature proof

Overview

Specifications

Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

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Dilution Calculator

Reconstitution Calculator

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