CCT241533 hydrochloride

Name: CCT241533 hydrochloride
Brand: MedChemExpress
SKU: HY-14715B
Rating: 5.0 (4 reviews)

Cat. No.: HY-14715B Purity: 99.51%: FAQs
Data Sheet SDS COA Handling Instructions

Molarity Calculator

CCT241533 hydrochloride is a potent and selective CHK2 inhibitor with an IC₅₀ of 3 nM and a K_i of 1.16 nM.

For research use only. We do not sell to patients.

CCT241533 hydrochloride Chemical Structure

CAS No. : 1431697-96-9

Size	Price	Stock	Quantity

Free Sample (0.1 - 0.5 mg)		Apply Now
Solid + Solvent (Highly Recommended)
10 mM * 1 mL in DMSO ready for reconstitution	USD 218	In-stock	Estimated Time of Arrival: December 31
Solution
10 mM * 1 mL in DMSO	USD 218	In-stock	Estimated Time of Arrival: December 31
Solid
5 mg	USD 198	In-stock	Estimated Time of Arrival: December 31
10 mg	USD 308	In-stock	Estimated Time of Arrival: December 31
50 mg	USD 1082	In-stock	Estimated Time of Arrival: December 31
100 mg	USD 1624	In-stock	Estimated Time of Arrival: December 31
200 mg		Get quote
500 mg		Get quote

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Customer Review

Based on 4 publication(s) in Google Scholar

Other Forms of CCT241533 hydrochloride:

CCT241533 dihydrochloride Get quote
CCT241533 Get quote

4 Publications Citing Use of MCE CCT241533 hydrochloride

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•Related Screening Libraries:

•Related Small Molecules:

•Related Proteins:

View All Checkpoint Kinase (Chk) Isoform Specific Products:

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Chk1 Chk2

Biological Activity
Protocol
Purity & Documentation
References
Customer Review

Description

CCT241533 hydrochloride is a potent and selective CHK2 inhibitor with an IC₅₀ of 3 nM and a K_i of 1.16 nM^[1].

IC₅₀ & Target^[1]

Chk2

3 nM (IC₅₀)

Chk1

245 nM (IC₅₀)

Chk2

1.16 nM (Ki)

In Vitro

CCT241533 hydrochloride inhibits CHK2 with an IC₅₀ of 3 nM and shows minimal cross reactivity against a panel of kinases at 1 μM. X-ray crystallography confirms that CCT241533 binds to CHK2 in the ATP pocket. CCT241533 blocks CHK2 activity in human tumor cell lines in response to DNA damage, as demonstrated by inhibition of CHK2 autophosphorylation at S516, band-shift mobility changes and HDMX degradation. CCT241533 does not potentiate the cytotoxicity of a selection of genotoxic agents in several cell lines. However, CCT241533 significantly potentiates the cytotoxicity of two structurally distinct PARP inhibitors. Clear induction of the pS516 CHK2 signal is seen with a PARP inhibitor alone and this activation is abolished by CCT241533. The cytotoxicity of CCT241533 in HT-29, HeLa and MCF-7, measured as the growth inhibitory IC₅₀(GI₅₀) by SRB assay, is 1.7, 2.2 and 5.1 μM, respectively^[1]. CCT241533 hydrochloride is a potent CHK2 inhibitor (IC₅₀=3 nM), with selectivity (63-fold) over CHK1(IC₅₀=190 nM) and low hERG inhibition (IC₅₀=22 μM)^[2].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Molecular Weight

478.94

Formula

C₂₃H₂₈ClFN₄O₄

CAS No.

1431697-96-9

Appearance

Solid

Color

White to light yellow

SMILES

[H]Cl.COC1=C(OC)C=C(C(N[C@H]2[C@H](C(C)(C)O)CNC2)=NC(C3=C(O)C=CC(F)=C3)=N4)C4=C1

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

4°C, sealed storage, away from moisture

*In solvent : -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture)

Solvent & Solubility

In Vitro:

DMSO : ≥ 100 mg/mL (208.79 mM; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

H₂O : 33.33 mg/mL (69.59 mM; Need ultrasonic)

*"≥" means soluble, but saturation unknown.

Preparing
Stock Solutions

Concentration Solvent Mass	1 mg	5 mg	10 mg

1 mM	2.0879 mL	10.4396 mL	20.8793 mL
5 mM	0.4176 mL	2.0879 mL	4.1759 mL
10 mM	0.2088 mL	1.0440 mL	2.0879 mL

View the Complete Stock Solution Preparation Table

* Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

* Note: If you choose water as the stock solution, please dilute it to the working solution, then filter and sterilize it with a 0.22 μm filter before use.

Molarity Calculator
Dilution Calculator

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

In Vivo:

Select the appropriate dissolution method based on your experimental animal and administration route.

For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for in vivo experiments, it is recommended to prepare freshly and use it on the same day.
The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.

Protocol 1

Add each solvent one by one: 10% DMSO 40% PEG300 5% Tween-80 45% Saline
Solubility: ≥ 2.5 mg/mL (5.22 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.
Preparation of Saline: Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear Saline solution.
Protocol 2

Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)
Solubility: ≥ 2.5 mg/mL (5.22 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 900 μL 20% SBE-β-CD in Saline, and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C, storage for one week): 2 g SBE-β-CD powder is dissolved in 10 mL Saline, completely dissolve until clear.
Protocol 3

Add each solvent one by one: 10% DMSO 90% Corn Oil
Solubility: ≥ 2.5 mg/mL (5.22 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown). If the continuous dosing period exceeds half a month, please choose this protocol carefully.
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 900 μL Corn oil, and mix evenly.
Protocol 4

Add each solvent one by one: 5% DMSO 40% PEG300 5% Tween-80 50% Saline
Solubility: ≥ 2.5 mg/mL (5.22 mM); Clear solution
Protocol 5

Add each solvent one by one: 5% DMSO 95% (20% SBE-β-CD in Saline)
Solubility: ≥ 2.5 mg/mL (5.22 mM); Clear solution

In Vivo Dissolution Calculator

Please enter the basic information of animal experiments:

Dosage

mg/kg

Animal weight
(per animal)

Dosing volume
(per animal)

μL

Number of animals

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Calculation results:

Working solution concentration: mg/mL

This product has good water solubility, please refer to the measured solubility data in water/PBS/Saline for details.

The concentration of the stock solution you require exceeds the measured solubility. The following solution is for reference only.If necessary, please contact MedChemExpress (MCE).

Purity & Documentation

Purity: 99.51%

Select Batch:

Data Sheet (280 KB) SDS (252 KB)

COA (255 KB) LCMS (93 KB)

Handling Instructions (2659 KB)

References

[1]. Anderson VE, et al. CCT241533 is a potent and selective inhibitor of CHK2 that potentiates the cytotoxicity of PARP inhibitors. Cancer Res. 2011 Jan 15;71(2):463-72. [Content Brief]

[2]. Caldwell JJ, et al. Structure-based design of potent and selective 2-(quinazolin-2-yl)phenol inhibitors of checkpoint kinase 2. J Med Chem. 2011 Jan 27;54(2):580-90. [Content Brief]

Cell Assay
^[1]

HT-29, HeLa and MCF-7 cells are exposed to a fixed concentration (GI₅₀) of CCT241533 in combination with increasing concentrations of either PARP inhibitor or cytotoxic drug in a 96 hour SRB assay or 7-10 day colony forming assay. The ability of CCT241533 to enhance cell killing is expressed as a potentiation index (PI) which is the ratio of GI₅₀ for the genotoxic or PARP inhibitor alone: GI₅₀ for the genotoxic or PARP inhibitor in combination with a CHK2 inhibitor. Thus PI>1 indicates potentiation and PI<1 indicates protection^[1].

MCE has not independently confirmed the accuracy of these methods. They are for reference only.

References

[1]. Anderson VE, et al. CCT241533 is a potent and selective inhibitor of CHK2 that potentiates the cytotoxicity of PARP inhibitors. Cancer Res. 2011 Jan 15;71(2):463-72. [Content Brief]

[2]. Caldwell JJ, et al. Structure-based design of potent and selective 2-(quinazolin-2-yl)phenol inhibitors of checkpoint kinase 2. J Med Chem. 2011 Jan 27;54(2):580-90. [Content Brief]

Complete Stock Solution Preparation Table

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg

H₂O / DMSO	1 mM	2.0879 mL	10.4396 mL	20.8793 mL	52.1981 mL
	5 mM	0.4176 mL	2.0879 mL	4.1759 mL	10.4396 mL
	10 mM	0.2088 mL	1.0440 mL	2.0879 mL	5.2198 mL
	15 mM	0.1392 mL	0.6960 mL	1.3920 mL	3.4799 mL
	20 mM	0.1044 mL	0.5220 mL	1.0440 mL	2.6099 mL
	25 mM	0.0835 mL	0.4176 mL	0.8352 mL	2.0879 mL
	30 mM	0.0696 mL	0.3480 mL	0.6960 mL	1.7399 mL
	40 mM	0.0522 mL	0.2610 mL	0.5220 mL	1.3050 mL
	50 mM	0.0418 mL	0.2088 mL	0.4176 mL	1.0440 mL
	60 mM	0.0348 mL	0.1740 mL	0.3480 mL	0.8700 mL
DMSO	80 mM	0.0261 mL	0.1305 mL	0.2610 mL	0.6525 mL
DMSO	100 mM	0.0209 mL	0.1044 mL	0.2088 mL	0.5220 mL

* Note: If you choose water as the stock solution, please dilute it to the working solution, then filter and sterilize it with a 0.22 μm filter before use.