| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| Targets |
NCT-506 targets aldehyde dehydrogenase 1A1 (ALDH1A1), an enzyme that oxidizes aldehydes to carboxylic acids. ALDH1A1 is a marker of cancer stem cells and is involved in drug resistance and tumor progression. By inhibiting ALDH1A1 with high potency (IC₅0 = 7 nM), the compound may sensitize cancer cells to chemotherapy and inhibit tumor growth. It also inhibits hALDH1A3 and hALDH2 at higher concentrations.
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| ln Vitro |
ALDH1A1, hALDH1A3, and hALDH2 are all inhibited by NCT-506, with IC50 values of 0.007±0.001, 16.4±3.99, and 21.5 μM, respectively[1]. With an EC50 of 45.6 μM, NCT-506 (100, 10, 1, 0.1 μM, 6 days) dramatically decreased cell viability in OV-90 cells. NCT-506 inhibited MIA PaCa-2, OV-90, and HT-29 cells with IC50 values of 0.077±0.040, 0.161±0.038, and 0.048±0.022 μM, respectively, in experiments using aldeflu cells [1]. The IC50 values for NCT-506 in combination with paclitaxel were 1202, 924, 870, 411, 102, and 31.8 nM, respectively, at SKOV-506 doses of 0 (DMSO), 1, 3, 10, 20, and 30 μM. correspondingly, 3 TR cells[1].
In vitro, NCT-506 is an orally bioavailable ALDH1A1 inhibitor with an IC₅0 of 7 nM. It inhibits ALDH1A1, hALDH1A3, and hALDH2 with IC₅0 values of 0.007+/-0.001, 16.4+/-3.99, and 21.5 microM, respectively. NCT-506 significantly decreases cell viability with an EC₅0 of 45.6 microM in OV-90 cells. Its potent ALDH1A1 inhibition makes it a valuable tool for studying cancer stem cell biology. |
| ln Vivo |
In vivo studies of NCT-506 are focused on evaluating its efficacy in cancer models, particularly in combination with chemotherapy. As an orally bioavailable ALDH1A1 inhibitor, the compound may sensitize tumors to standard chemotherapeutic agents by targeting cancer stem cells. Further in vivo studies are needed to fully characterize its efficacy, safety, and pharmacokinetic profile in various cancer models.
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| Enzyme Assay |
For in vitro enzyme assays, NCT-506 is evaluated using ALDH1A1 enzymatic activity assays. The compound is incubated with recombinant ALDH1A1 enzyme and aldehyde substrate at various concentrations. ALDH1A1 activity is quantified by measuring the production of NADH or the consumption of NAD+ using spectrophotometric or fluorometric methods. IC₅0 values are determined from dose-response curves.
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| Cell Assay |
Cell viability assay [1]
Cell Types: OV-90 and SKOV-3-TR Cell Tested Concentrations: 100, 10, 1, 0.1 μM Incubation Duration: 6 days for OV-90 cells; 4 days for SKOV-3-TR cells Experimental Results: OV Cell viability was Dramatically diminished in -90 cells, with an EC50 of 45.6 μM. Combination treatment (paclitaxel concentration of 100 nM) diminished cell viability in SKOV-3-TR cells with an EC50 of 11.2 μM. For in vitro cellular experiments, NCT-506 is tested in cancer cell lines with high ALDH1A1 expression, such as OV-90 cells. Cells are cultured in appropriate media and treated with various concentrations of the compound. Cell viability is assessed using MTT or CellTiter-Glo assays. ALDH1A1 activity in cells is measured using ALDEFLUOR assays or by measuring aldehyde metabolism. The compound's effects on cancer stem cell markers and chemosensitivity are evaluated. |
| Animal Protocol |
For in vivo animal experiments, NCT-506 can be administered to tumor-bearing mice via oral gavage. Xenograft models using cancer cell lines with high ALDH1A1 expression are commonly used. Typical dosing regimens may range from 1 to 50 mg/kg. Tumor volume is measured regularly, and tumor growth inhibition is calculated. ALDH1A1 activity and cancer stem cell markers in tumors are assessed.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of NCT-506 include oral bioavailability, supporting its administration via oral gavage in vivo. As a small molecule with a molecular weight of 478.54, it is likely to have reasonable absorption and distribution characteristics. Detailed parameters such as Cₘₐₓ, Tₘₐₓ, AUC, half-life, and clearance would need to be determined through comprehensive PK studies.
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| Toxicity/Toxicokinetics |
Toxicological data for NCT-506 are limited, as it is primarily a research tool. As an ALDH1A1 inhibitor, its toxicity would depend on the importance of ALDH1A1 for normal cellular metabolism. Comprehensive toxicology studies including acute and repeated-dose toxicity, genotoxicity, and cardiotoxicity assessments would be needed for further development. Appropriate safety precautions should be taken when handling this compound.
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| References | |
| Additional Infomation |
NCT-506 is a research compound used to study ALDH1A1 biology and develop cancer therapies. No clinical trials or regulatory approvals have been reported for this compound as a therapeutic agent. It is available from various chemical suppliers for research purposes only. The compound is an orally bioavailable ALDH1A1 inhibitor with an IC₅0 of 7 nM.
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| Molecular Formula |
C25H23FN4O3S
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| Molecular Weight |
478.538527727127
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| Exact Mass |
478.147
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| CAS # |
2231098-99-8
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| PubChem CID |
137628670
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| Appearance |
White to off-white solid powder
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| LogP |
2.4
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
34
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| Complexity |
924
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| Defined Atom Stereocenter Count |
0
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| SMILES |
S(C)(N1CCN(C(C2C=NC3C=CC(=CC=3C=2C2C=CC(=CC=2)C2(C#N)CC2)F)=O)CC1)(=O)=O
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| InChi Key |
WIXZFNIBMHEUJH-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C25H23FN4O3S/c1-34(32,33)30-12-10-29(11-13-30)24(31)21-15-28-22-7-6-19(26)14-20(22)23(21)17-2-4-18(5-3-17)25(16-27)8-9-25/h2-7,14-15H,8-13H2,1H3
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| Chemical Name |
1-[4-[6-fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]phenyl]cyclopropane-1-carbonitrile
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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 |
| 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 : ~33.33 mg/mL (~69.65 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.22 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (5.22 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.0897 mL | 10.4484 mL | 20.8969 mL | |
| 5 mM | 0.4179 mL | 2.0897 mL | 4.1794 mL | |
| 10 mM | 0.2090 mL | 1.0448 mL | 2.0897 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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