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| 5mg |
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| Targets |
L82 selectively targets DNA ligase 1 (DNA Lig1 / hLig1). This enzyme is essential for joining Okazaki fragments during DNA replication and plays a key role in various DNA repair pathways. L82 is a non-competitive inhibitor, which means it binds to a site distinct from the enzyme's active site. It inhibits hLig1 with an IC50 of 12 μM.
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| ln Vitro |
L82 (0-50 μM; 6 d) exhibits anti-proliferative action against cells that cause breast cancer[2]. The G1/S checkpoint in MCF7 cells is activated by L82 (50 μM; 0-48 h), which exhibits cytostatic activity[2].
In vitro, L82 demonstrates potent inhibition of human DNA ligase 1 with an IC50 of 12 μM. It acts as a selective, non-competitive inhibitor. At concentrations of 0-50 μM over 6 days, L82 exhibits significant antiproliferative action against breast cancer cells. These in vitro activities support its use in studying DNA repair pathways and as a potential lead compound for cancer therapeutics. |
| ln Vivo |
In vivo data for L82 is not extensively reported in publicly available sources. As a DNA ligase 1 inhibitor with antiproliferative activity against breast cancer cells in vitro, the compound has potential applications in animal models of breast cancer and other malignancies. However, specific published in vivo efficacy studies are not detailed in the current literature. L82 is primarily used as a research tool for studying DNA replication and repair.
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| Enzyme Assay |
The in vitro DNA ligase 1 inhibition assay for L82 uses purified human DNA ligase 1 (hLig1) enzyme and a nicked DNA substrate. Enzyme activity is measured by monitoring the ligation of DNA strands, and IC50 values are calculated from dose-response curves. The compound's non-competitive mechanism is confirmed by performing the assay at different substrate concentrations. Antiproliferative activity is assessed in breast cancer cell lines using standard cell viability assays.
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| Cell Assay |
Cell Proliferation Assay[2]
Cell Types: MCF10A, MCF7, HCT116, and HeLa cells Tested Concentrations: 0-50 μM Incubation Duration: 6 days Experimental Results: decreased the proliferation of a normal breast epithelial cell line MCF10A and the breast cancer cell lines MCF7, HeLa and HCT116, in a concentration-dependent manner. Cell Cycle Analysis[2] Cell Types: MCF7 cells Tested Concentrations: 50 μM Incubation Duration: 0-48 hrs (hours) Experimental Results: demonstrated a transient accumulation of cells at G2/M after 12 h, then demonstrated an accumulation at G0/G1 that peaked after 24 h. diminished in the S phase cell in accompanying with the increase in the G0 /G1 phase. Cellular assays for L82 are conducted in breast cancer cell lines. Cells are treated with varying concentrations of L82 (0-50 μM) for up to 6 days. Cell viability and proliferation are measured using standard assays such as MTT or CellTiter-Glo. The compound's effects on DNA replication and repair are assessed by measuring DNA synthesis or the accumulation of DNA damage markers. Cell cycle analysis is performed by flow cytometry. |
| Animal Protocol |
In vivo studies for L82 would typically involve xenograft mouse models of breast cancer. The compound would be administered via intraperitoneal or oral routes at doses determined by pharmacokinetic studies. Efficacy would be assessed by measuring tumor growth inhibition. However, specific published in vivo protocols for L82 are not available in the current literature. The compound is currently used as a research tool for studying DNA repair and cancer biology.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for L82 is not extensively reported in publicly available sources. The compound has a molecular weight of 309.67 g/mol and a molecular formula of C11H8ClN5O4. It is typically handled as a yellow to orange solid powder. As a small molecule, it is expected to have moderate bioavailability. Detailed PK parameters such as half-life and bioavailability are not available in the current literature.
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| Toxicity/Toxicokinetics |
Toxicity data for L82 is limited in publicly available sources. As with all research compounds, L82 is intended for research use only and not for human therapeutic applications. Standard in vitro cytotoxicity assays in normal cell lines and in vivo tolerability studies would be required for a complete toxicity assessment. The compound's antiproliferative properties against cancer cells suggest potential on-target effects that would need to be evaluated.
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| References |
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| Additional Infomation |
L82 (CAS 329227-30-7) is a selective, non-competitive inhibitor of DNA ligase 1 with an IC50 of 12 μM against the human enzyme. It demonstrates potent antiproliferative properties against breast cancer cells. It has a molecular formula of C11H8ClN5O4 and a molecular weight of 309.67 g/mol. L82 is a valuable research tool for studying DNA repair mechanisms, replication, and for developing potential cancer therapeutics.
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| Molecular Formula |
C11H8CLN5O4
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| Molecular Weight |
309.665320396423
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| Exact Mass |
309.03
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| CAS # |
329227-30-7
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| PubChem CID |
135651244
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| Appearance |
Yellow to orange solid powder
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| LogP |
2
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
21
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| Complexity |
527
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| Defined Atom Stereocenter Count |
0
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| SMILES |
ClC1C(NN=CC=1N/N=C\C1=CC=C(C(=C1)[N+](=O)[O-])O)=O
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| InChi Key |
WUVOGTSGMTVCGA-PQMHYQBVSA-N
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| InChi Code |
InChI=1S/C11H8ClN5O4/c12-10-7(5-14-16-11(10)19)15-13-4-6-1-2-9(18)8(3-6)17(20)21/h1-5,18H,(H2,15,16,19)/b13-4-
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| Chemical Name |
5-chloro-4-[(2Z)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
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| Synonyms |
L82
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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 (~107.6 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 | 3.2292 mL | 16.1462 mL | 32.2924 mL | |
| 5 mM | 0.6458 mL | 3.2292 mL | 6.4585 mL | |
| 10 mM | 0.3229 mL | 1.6146 mL | 3.2292 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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