[CAS NO. 1431697-96-9] CCT241533hydrochloride

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PRODUCTS SPECIFICATIONS [1431697-96-9]

Catelog

HY-14715B

Brand

MCE

CAS

1431697-96-9

DESCRIPTION [1431697-96-9]

Overview

MDL	-
Molecular Weight	478.94
Molecular Formula	C23H28ClFN4O4
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

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

4 Publications Citing Use of MCE

Summary

CCT241533 hydrochloride is a potent and selective CHK2 inhibitor with an IC ₅₀ of 3 nM and a K _i of 1.16 nM ^[1] .

IC50 & Target

Chk2

3 nM (IC ₅₀ )

Chk1

245 nM (IC ₅₀ )

Chk2

1.16 nM (Ki)

In Vitro

CCT241533 hydrochloride inhibits CHK2 with an IC ₅₀ 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 IC ₅₀ (GI ₅₀ ) by SRB assay, is 1.7, 2.2 and 5.1 μM, respectively ^[1] . CCT241533 hydrochloride is a potent CHK2 inhibitor (IC ₅₀ =3 nM), with selectivity (63-fold) over CHK1(IC ₅₀ =190 nM) and low hERG inhibition (IC ₅₀ =22 μM) ^[2] .

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

Appearance

Solid

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 )

H ₂ O : 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	10.4397 mL	20.8794 mL
5 mM	0.4176 mL	2.0879 mL	4.1759 mL
10 mM	0.2088 mL	1.0440 mL	2.0879 mL

* Please refer to the solubility information to select the appropriate solvent.

In Vivo:

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
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
3.

Add each solvent one by one: 10% DMSO >> 90% corn oil

Solubility: ≥ 2.5 mg/mL (5.22 mM); Clear solution
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
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

* All of the co-solvents are available by MCE.

References

Synonyms

3-Pyrrolidinemethanol, 4-[[2-(5-fluoro-2-hydroxyphenyl)-6,7-dimethoxy-4-quinazolinyl]amino]-α,α-dimethyl-, hydrochloride (1:1), (3R,4S)-rel-