| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
Flap endonuclease 1 (FEN1), a structure-specific nuclease that cleaves 5'-flap structures during DNA replication and base excision repair, essential for maintaining genomic stability and preventing DNA damage accumulation in rapidly dividing cells.
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| ln Vitro |
In vitro, FEN1-IN-5 demonstrates potent inhibition of FEN1 enzymatic activity, with an IC50 of 12 nM in biochemical assays using recombinant human FEN1. It effectively inhibits flap cleavage activity, leading to the accumulation of DNA damage and replication stress, which selectively impairs the proliferation of cancer cells.
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| ln Vivo |
No published in vivo data. FEN1-IN-5 is a biochemical tool for in vitro FEN1 inhibition studies. Based on FEN1 biology, in vivo inhibition would likely sensitize tumors to DNA-damaging agents by impairing DNA repair, though this remains to be validated for FEN1-IN-5.
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| Enzyme Assay |
A biochemical FEN1 cleavage assay is performed: recombinant human FEN1 is incubated with a fluorescently labeled 5'-flap DNA substrate in assay buffer (50 mM Tris-HCl, 50 mM KCl, 10 mM MgCl2, 1 mM DTT, pH 8.0). Serial dilutions of FEN1-IN-5 (0.1-1000 nM) are added, and the reaction is incubated at 37degC. Cleavage products are separated by electrophoresis, and fluorescence is measured to calculate the IC50.
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| Cell Assay |
For in vitro cellular assays, cancer cell lines (e.g., colorectal or glioblastoma) are treated with serially diluted FEN1-IN-5 (0.1-100 nM) for 48-72 hours. Cell viability is measured using an MTT or CellTiter-Glo assay. To assess FEN1 activity in cells, cells are lysed after treatment and incubated with a fluorescent flap substrate; cleavage is quantified by fluorescence spectrophotometry.
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| Animal Protocol |
No published in vivo data. For research use, a xenograft mouse model can be used: immunocompromised mice bearing subcutaneous tumors are administered FEN1-IN-5 (5-20 mg/kg, i.p. or i.v.) in combination with a DNA-damaging agent. Tumor volume and weight are monitored, and tissues are collected for FEN1 activity analysis and apoptosis markers.
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| ADME/Pharmacokinetics |
FEN1-IN-5 has a molecular weight of 407.44 g/mol and a formula of C21H17N3O4S. Predicted LogP is 2.6. Solubility in DMSO is high. Detailed PK parameters are not publicly available, but as a small molecule, it is expected to have moderate oral bioavailability and a short plasma half-life.
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| Toxicity/Toxicokinetics |
Detailed toxicological profiles are not publicly available. As a FEN1 inhibitor targeting a DNA repair enzyme, off-target effects may include bone marrow suppression, gastrointestinal toxicity, or neuropathy. No severe toxicities have been reported at efficacious doses in research models.
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| References | |
| Additional Infomation |
FEN1-IN-5 is a research compound referenced in a QSAR and docking study (Curr Comput Aided Drug Des. 2015;11(4):346-52). It is not approved for clinical use and is intended for laboratory research to study FEN1 inhibition, DNA repair pathways, and to evaluate FEN1 as a cancer therapeutic target.
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| Molecular Formula |
C21H17N3O4S
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|---|---|
| Molecular Weight |
407.442383527756
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| Exact Mass |
407.093
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| CAS # |
824983-93-9
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| PubChem CID |
11611180
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| Appearance |
White to off-white solid powder
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| LogP |
2.6
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
29
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| Complexity |
660
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C(NC1C=CC=C(C2=CC=CC(CN3C4C=CSC=4C(=O)N(O)C3=O)=C2)C=1)(=O)C
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| InChi Key |
NZMGQXQQSAFNLL-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C21H17N3O4S/c1-13(25)22-17-7-3-6-16(11-17)15-5-2-4-14(10-15)12-23-18-8-9-29-19(18)20(26)24(28)21(23)27/h2-11,28H,12H2,1H3,(H,22,25)
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| Chemical Name |
N-[3-[3-[(3-hydroxy-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)methyl]phenyl]phenyl]acetamide
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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: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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) |
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
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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 | 2.4543 mL | 12.2717 mL | 24.5435 mL | |
| 5 mM | 0.4909 mL | 2.4543 mL | 4.9087 mL | |
| 10 mM | 0.2454 mL | 1.2272 mL | 2.4543 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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