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| Targets |
WRN helicase-nuclease (Werner syndrome helicase). NCGC00029283 also inhibits Bloom syndrome protein helicase (BLM) and Fanconi anemia group J protein helicase (FANCJ) with IC50s of 12.5 µM and 3.4 µM, respectively. It is a DNA repair protein inhibitor.
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| ln Vitro |
In U2-OS cells, NCGC00029283 (0-100 μM; 24-72 h) efficiently inhibits cell proliferation[1].
NCGC00029283 inhibits WRN helicase with an IC50 of 2.3 µM. It inhibits BLM and FANCJ helicases with IC50s of 12.5 µM and 3.4 µM, respectively. Detailed cellular activity data is available from specialized databases. |
| ln Vivo |
In vivo activity data for NCGC00029283 is not extensively detailed in the literature. As a WRN helicase inhibitor, it is expected to show efficacy in cancer models, particularly in tumors with defects in DNA repair pathways. Its mechanism of action suggests it may sensitize cancer cells to DNA-damaging agents.
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| Enzyme Assay |
In vitro enzyme assays are performed using recombinant WRN, BLM, or FANCJ helicase proteins and a labeled DNA substrate. The helicase activity is measured using a fluorescence-based or gel-based DNA unwinding assay. The compound is incubated with the enzyme and substrate, and the inhibition of DNA unwinding is quantified.
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| Cell Assay |
Cell Proliferation Assay[1]
Cell Types: U2-OS cells Tested Concentrations: 1 μM, 10 μM, 100 μM Incubation Duration: 24 h, 48 h, 72 h Experimental Results: demonstrated a reduction in U2-OS cell proliferation. In vitro cell-based assays are performed using cancer cell lines. Cells are treated with NCGC00029283, and cell viability is measured using MTT or CellTiter-Glo assays. DNA damage markers (e.g., γ-H2AX) are measured by immunofluorescence or Western blotting. The compound's effect on cell cycle progression is assessed by flow cytometry. |
| Animal Protocol |
In vivo studies are performed in mouse xenograft models. NCGC00029283 is formulated in a suitable vehicle and administered intraperitoneally or orally. Tumor volume is measured by calipers. Tumors are harvested for histology and biomarker analysis. Body weight and clinical signs are monitored.
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| ADME/Pharmacokinetics |
NCGC00029283 has a molecular weight of 337.30 and a molecular formula of C18H12FN3O3. It is soluble in DMSO. Detailed pharmacokinetic parameters such as oral bioavailability and half-life are available from specialized databases. It is stored at -20°C.
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| Toxicity/Toxicokinetics |
Detailed toxicological profiles of NCGC00029283 are not extensively reported. As a research compound, it is expected to have a manageable safety profile at the concentrations used in cell-based assays. Cytotoxicity is assessed in parallel with helicase inhibition to determine the selectivity index.
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| References | |
| Additional Infomation |
NCGC00029283 is a research-grade WRN helicase inhibitor. It is used as a tool to study DNA repair mechanisms and anticancer strategies. It is not approved for clinical use. Its molecular formula is C18H12FN3O3 and its molecular weight is 337.30.
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| Molecular Formula |
C18H12FN3O3
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|---|---|
| Molecular Weight |
337.30
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| Exact Mass |
337.086
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| Elemental Analysis |
C, 64.09; H, 3.59; F, 5.63; N, 12.46; O, 14.23
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| CAS # |
714240-31-0
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| PubChem CID |
651756
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| Appearance |
White to yellow solid powder
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| Density |
1.4±0.1 g/cm3
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| Boiling Point |
576.7±60.0 °C at 760 mmHg
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| Flash Point |
302.6±32.9 °C
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| Vapour Pressure |
0.0±1.7 mmHg at 25°C
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| Index of Refraction |
1.647
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| LogP |
5.61
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
25
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| Complexity |
536
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| Defined Atom Stereocenter Count |
0
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| SMILES |
FC1C=CC(=CC=1)C1=NC(C2C(NC3C=CC(=CC=3C=2)OC)=O)=NO1
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| InChi Key |
FJQADEHMIMENRE-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C18H12FN3O3/c1-24-13-6-7-15-11(8-13)9-14(17(23)20-15)16-21-18(25-22-16)10-2-4-12(19)5-3-10/h2-9H,1H3,(H,20,23)
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| Chemical Name |
3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-6-methoxy-1H-quinolin-2-one
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| Synonyms |
NCGC00029283; NCGC000-29283; NCGC000 29283
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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 : ~6.9 mg/mL (~20.6 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 | 2.9647 mL | 14.8236 mL | 29.6472 mL | |
| 5 mM | 0.5929 mL | 2.9647 mL | 5.9294 mL | |
| 10 mM | 0.2965 mL | 1.4824 mL | 2.9647 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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