| Size | Price | |
|---|---|---|
| 500mg | ||
| 1g | ||
| Other Sizes |
| Targets |
Chk2 3 nM (IC50) Chk1 245 nM (IC50) Chk2 1.16 nM (Ki)
|
|---|---|
| ln Vitro |
At 1 μM, CCT241533 exhibits negligible cross-reactivity against a panel of kinases and inhibits CHK2 with an IC50 of 3 nM. The binding of CCT241533 to CHK2 in the ATP pocket has been verified by X-ray crystallography. As evidenced by the suppression of CHK2 autophosphorylation at S516, band-shift mobility alterations, and HDMX degradation, CCT241533 inhibits CHK2 activity in human tumor cell lines in response to DNA damage. In multiple cell lines, CCT241533 had no effect on the cytotoxicity of a few genotoxic chemicals. Nonetheless, two structurally different PARP inhibitors exhibit markedly increased cytotoxicity when combined with CCT241533. A PARP inhibitor alone causes a definite induction of the pS516 CHK2 signal, which CCT241533 reverses. According to the SRB experiment, the growth inhibitory IC50 (GI50) for CCT241533 in HT-29, HeLa, and MCF-7 is 1.7, 2.2, and 5.1 μM, in that order[1]. With a selectivity (63-fold) over CHK1 (IC50=190 nM) and modest hERG inhibition (IC50=22 μM), CCT241533 hydrochloride is a powerful CHK2 inhibitor (IC50=3 nM)[2].
|
| References |
|
| Molecular Formula |
C23H29CL2FN4O4
|
|---|---|
| Molecular Weight |
515.41
|
| Exact Mass |
514.154
|
| CAS # |
1962925-28-5
|
| Related CAS # |
CCT241533 hydrochloride;1431697-96-9;CCT241533;1262849-73-9
|
| PubChem CID |
137025388
|
| Appearance |
Typically exists as solid at room temperature
|
| Hydrogen Bond Donor Count |
6
|
| Hydrogen Bond Acceptor Count |
9
|
| Rotatable Bond Count |
6
|
| Heavy Atom Count |
34
|
| Complexity |
629
|
| Defined Atom Stereocenter Count |
2
|
| SMILES |
CC(C)([C@@H]1CNC[C@H]1NC2=NC(=NC3=CC(=C(C=C32)OC)OC)C4=C(C=CC(=C4)F)O)O.Cl.Cl
|
| InChi Key |
VCFVLTMSBOZYOU-FXKISCCRSA-N
|
| InChi Code |
InChI=1S/C23H27FN4O4.2ClH/c1-23(2,30)15-10-25-11-17(15)27-21-13-8-19(31-3)20(32-4)9-16(13)26-22(28-21)14-7-12(24)5-6-18(14)29;;/h5-9,15,17,25,29-30H,10-11H2,1-4H3,(H,26,27,28);2*1H/t15-,17-;;/m1../s1
|
| Chemical Name |
4-fluoro-2-[4-[[(3S,4R)-4-(2-hydroxypropan-2-yl)pyrrolidin-3-yl]amino]-6,7-dimethoxyquinazolin-2-yl]phenol;dihydrochloride
|
| HS Tariff Code |
2934.99.9001
|
| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
|
| Solubility (In Vitro) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
|
|---|---|
| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.9402 mL | 9.7010 mL | 19.4020 mL | |
| 5 mM | 0.3880 mL | 1.9402 mL | 3.8804 mL | |
| 10 mM | 0.1940 mL | 0.9701 mL | 1.9402 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution 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 stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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