Home Cell Cycle CDK inhibitor XL413

research use only

XL413 CDK inhibitor

Cat.No.S7547

XL413 is a potent and selective cell division cycle 7 homolog (CDC7) kinase inhibitor with IC50 of 3.4 nM, showing 63-, 12- and 35-fold selectivity over CK2, Pim-1 and pMCM2, respectively.
XL413 CDK inhibitor Chemical Structure

Chemical Structure

Molecular Weight: 326.18

Jump to

Quality Control

Batch: Purity: 99.67%
99.67

Cell Culture, Treatment & Working Concentration

Cell Lines Assay Type Concentration Incubation Time Formulation Activity Description PMID
human MDA-MB-231T cells Function assay 4 h Inhibition of CDC7 in human MDA-MB-231T cells assessed as inhibition of MCM2 phosphorylation at Ser53 after 4 hrs, IC50=0.118 μM 22560567
human Caco2 cells Function assay 4 h Inhibition of CDC7 in human Caco2 cells assessed as inhibition of MCM2 phosphorylation at Ser53 after 4 hrs, IC50=0.14 μM 22560567
human Caco2 cells Proliferation assay Antiproliferative activity against human Caco2 cells assessed as inhibition of anchorage-independent growth in soft agar, IC50=0.715 μM 22560567
Caco2 cells Function assay Induction of apoptosis in human Caco2 cells assessed as increase in caspase 3/7 activity, EC50=2.288 μM 22560567
MDA-MB-468 Function assay Inhibition of PHGDH in human MDA-MB-468 cells assessed as decrease in serine flux, EC50 = 2.3 μM. 29555419
MDA-MB-468 Cytotoxicity assay Cytotoxicity against human MDA-MB-468 cells, EC50 = 8 μM. 29555419
Click to View More Cell Line Experimental Data

Solubility

In vitro
Batch:

Water : 46 mg/mL

DMSO : Insoluble
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO.)

Ethanol : Insoluble

Molarity Calculator

Mass Concentration Volume Molecular Weight
Dilution Calculator Molecular Weight Calculator

In vivo
Batch:

In vivo Formulation Calculator (Clear solution)

Step 1: Enter information below (Recommended: An additional animal making an allowance for loss during the experiment)

mg/kg
g
μL

Step 2: Enter the in vivo formulation (This is only the calculator, not formulation. Please contact us first if there is no in vivo formulation at the solubility Section.)

% DMSO
%
% Tween 80
% ddH2O
% DMSO
+
%

Calculation results:

Working concentration: mg/ml;

Method for preparing DMSO master liquid: mg drug pre-dissolved in μL DMSO ( Master liquid concentration mg/mL, Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug. )

Method for preparing in vivo formulation: Take μL DMSO master liquid, next addμL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O, mix and clarify.

Method for preparing in vivo formulation: Take μL DMSO master liquid, next add μL Corn oil, mix and clarify.

Note: 1. Please make sure the liquid is clear before adding the next solvent.
2. Be sure to add the solvent(s) in order. You must ensure that the solution obtained, in the previous addition, is a clear solution before proceeding to add the next solvent. Physical methods such
as vortex, ultrasound or hot water bath can be used to aid dissolving.

Chemical Information, Storage & Stability

Molecular Weight 326.18 Formula

C14H13Cl2N3O2

 Storage (From the date of receipt)
CAS No. 1169562-71-3 Download SDF Storage of Stock Solutions

Synonyms BMS-863233 Smiles C1CC(NC1)C2=NC3=C(C(=O)N2)OC4=C3C=C(C=C4)Cl.Cl

Mechanism of Action

Targets/IC50/Ki
Cdc7
(Cell-free assay)
3.4 nM
Pim1
(Cell-free assay)
42 nM
CK2
(Cell-free assay)
212 nM
In vitro
In MDA-MB-231T and Colo-205 cell lines, XL413 results in inhibition of CDC7 specific phosphorylation of MCM2. This compound also inhibits the cell proliferation, decreases cell viability and elicits the caspase 3/7 activity in Colo-205 cells. Moreover, it results in modified S phase progression that subsequently leads to apoptotic cell death.
Kinase Assay
CDC7 kinase assay
Kinase activity and compound inhibition are determined using the luciferase-luciferin-coupled chemiluminescence assay and measured as the percentage of ATP utilized following the kinase reaction in a 384-well format. The final CDC7 kinase assay condition is 6 nM CDC7/ASK, 1 μM ATP, 50 mM Hepes pH 7.4, 10 mM MgCl2, 0.02% BSA, 0.02% brij 35, 0.02% tween 20 and 1 mM DTT. It is worthy to note that the CDC7/ASK protein exhibits substrate-independent ATP utilization. All kinase reactions are incubated at room temperature for 1-2 h.
In vivo
In a Colo-205 xenograft model, XL413, at the 3 mg/kg dose, causes 70% inhibition of phosphorylated MCM2, and this compound causes significant tumor growth regression at the 100 mg/kg dose.
References

Applications

Methods Biomarkers Images PMID
Western blot p-Mcm2 / Mcm2
S7547-WB1
25412417

Clinical Trial Information

(data from https://clinicaltrials.gov, updated on 2024-05-22)

NCT Number Recruitment Conditions Sponsor/Collaborators Start Date Phases
NCT00886782 Terminated
Advanced Solid Cancers|Metastatic Cancer
Bristol-Myers Squibb|Exelixis
 May 31 2009 Phase 1|Phase 2
NCT00838890 Terminated
Refractory Hematologic Cancer
Bristol-Myers Squibb|Exelixis
 March 2009 Phase 1|Phase 2

Tech Support

Handling Instructions

Tel: +1-832-582-8158 Ext:3

If you have any other enquiries, please leave a message.

Signaling Pathway Map