| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
CCT018159 targets heat shock protein 90 (HSP90), a molecular chaperone that is essential for the folding, stability, and function of many client proteins, including oncogenes such as HER2, AKT, and RAF. It binds to the N-terminal ATP-binding domain of HSP90, inhibiting its ATPase activity and preventing the formation of the mature HSP90-client protein complex. This leads to the degradation of client proteins.
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| ln Vitro |
CCT018159 is a potent and selective inhibitor of HSP90. It binds to the N-terminal ATP-binding domain of HSP90, inhibiting its ATPase activity. This leads to the degradation of HSP90 client proteins, including oncogenes such as HER2, AKT, and RAF. CCT018159 has been shown to inhibit the proliferation of cancer cell lines.
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| ln Vivo |
Specific in vivo activity data for CCT018159 is not extensively detailed in the available literature. As a research compound, its in vivo effects are primarily studied in the context of HSP90 inhibition and its impact on tumor growth. Further studies are needed to fully characterize its in vivo efficacy and pharmacokinetic properties.
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| Enzyme Assay |
CCT018159's activity as an HSP90 inhibitor is assessed using in vitro ATPase assays that measure its ability to inhibit HSP90's ATPase activity. Binding assays, such as fluorescence polarization or surface plasmon resonance, are used to measure its affinity for the N-terminal ATP-binding domain of HSP90.
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| Cell Assay |
Cellular assays for CCT018159 involve treating cancer cell lines with the compound and measuring the degradation of HSP90 client proteins. The levels of client proteins such as HER2, AKT, and RAF are assessed by Western blot analysis. Cell proliferation and viability are measured using MTT or CellTiter-Glo assays.
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| Animal Protocol |
In vivo animal model protocols for CCT018159 would involve its administration to tumor-bearing mice to evaluate its antitumor efficacy. The compound's effects on tumor growth, HSP90 client protein levels in tumor tissues, and pharmacokinetic properties would be assessed.
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| ADME/Pharmacokinetics |
CCT018159 has a molecular weight of 384.44 and a molecular formula of C22H20N6O. Specific pharmacokinetic data is not extensively detailed in the available literature. As a small molecule inhibitor, its pharmacokinetic properties would need to be evaluated in preclinical studies.
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| Toxicity/Toxicokinetics |
The toxicological profile of CCT018159 has not been extensively characterized. As a research compound, it is intended for research use only and not for human consumption. Standard safety assessments would be required for clinical development.
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| References | |
| Additional Infomation |
CCT-018159 is a pyrazole compound with the structure 1H-pyrazole, and 1,4-benzodioxane-6-yl and 5-ethyl-2,4-dihydroxyphenyl substituents attached at positions 4 and 5, respectively. It exhibits activities as an Hsp90 inhibitor, antitumor drug, and apoptosis inducer. It is a benzodioxin-like compound, belonging to the pyrazole and resorcinol classes.
CCT018159 (CAS# 171009-07-7) is a research compound used to study HSP90 function in cancer and other diseases. It is a potent and selective HSP90 inhibitor that binds to the N-terminal ATP-binding domain. It is not approved for clinical use and is supplied as a research chemical. |
| Molecular Formula |
C20H20N2O4
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|---|---|
| Molecular Weight |
352.38
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| Exact Mass |
352.142
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| CAS # |
171009-07-7
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| PubChem CID |
984170
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| Appearance |
White to off-white solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
547.3±50.0 °C at 760 mmHg
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| Flash Point |
284.8±30.1 °C
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| Vapour Pressure |
0.0±1.5 mmHg at 25°C
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| Index of Refraction |
1.647
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| LogP |
2.79
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
26
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| Complexity |
479
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
OWPMENVYXDJDOW-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C20H20N2O4/c1-3-12-8-14(16(24)10-15(12)23)20-19(11(2)21-22-20)13-4-5-17-18(9-13)26-7-6-25-17/h4-5,8-10,23-24H,3,6-7H2,1-2H3,(H,21,22)
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| Chemical Name |
4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-pyrazol-3-yl]-6-ethylbenzene-1,3-diol
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| Synonyms |
CCT 018159; CCT-018159; CCT018159
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO : ~125 mg/mL (~354.73 mM)
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| 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 | 2.8378 mL | 14.1892 mL | 28.3785 mL | |
| 5 mM | 0.5676 mL | 2.8378 mL | 5.6757 mL | |
| 10 mM | 0.2838 mL | 1.4189 mL | 2.8378 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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