| 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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| 250mg |
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| Targets |
NIC3 specifically targets nucleus accumbens-associated protein 1 (NAC1), an oncogenic protein involved in tumor progression and drug resistance. It binds to the conserved site Leu-90 of NAC1 and prevents its homodimerization. This leads to proteasomal degradation of NAC1. By down-regulating NAC1 protein, NIC3 sensitizes drug-resistant tumor cells to conventional chemotherapy and enhances the anti-metastatic effect of bevacizumab. The compound has anti-cancer activity.
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| ln Vitro |
In vitro, NIC3 is a selective inhibitor of NAC1, binding to the conserved site Leu-90 and preventing homodimerization. This leads to proteasomal degradation of NAC1. NIC3 sensitizes drug-resistant tumor cells to conventional chemotherapy and enhances the anti-metastatic effect of bevacizumab. The compound has anti-cancer activity in various cancer cell models. Its effects on NAC1 degradation and tumor cell sensitization have been characterized in cell-based assays.
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| ln Vivo |
In vivo, NIC3 (25 mg/kg, iv, every three days for 6 doses) exhibits antitumor activity against Adriamycin-resistant MCF-7 cells and MDA-MB-231 in mouse models. It sensitizes drug-resistant tumor cells to conventional chemotherapy and enhances the anti-metastatic effect of bevacizumab. NIC3 has anti-cancer activity in various tumor models. The compound down-regulates NAC1 protein, leading to tumor growth inhibition. Further in vivo studies are ongoing to fully characterize its therapeutic potential.
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| Enzyme Assay |
NIC3 NAC1 binding assays involve measuring binding to the conserved site Leu-90 of NAC1. Binding affinity is assessed using surface plasmon resonance, isothermal titration calorimetry, or fluorescence-based assays. NAC1 homodimerization inhibition is assessed using co-immunoprecipitation or crosslinking assays. Proteasomal degradation of NAC1 is assessed by measuring NAC1 protein levels by Western blot after treatment. Anti-cancer activity is assessed by measuring inhibition of cancer cell proliferation or induction of apoptosis. Assays are performed in appropriate buffer systems with positive controls.
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| Cell Assay |
NIC3 cell-based assays are conducted in cancer cell lines including Adriamycin-resistant MCF-7 cells and MDA-MB-231 cells. Cells are cultured in appropriate media at 37°C with 5% CO2 and treated with NIC3 at varying concentrations. Cell viability is assessed by MTT or CCK-8 assays. NAC1 protein levels are assessed by Western blot. Apoptosis is evaluated by Annexin V/PI staining and caspase activity assays. Sensitization to chemotherapy is assessed by combining NIC3 with conventional chemotherapeutic agents. Anti-metastatic effects are assessed by migration and invasion assays. Experiments are performed in triplicate with appropriate positive and negative controls.
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| Animal Protocol |
NIC3 in vivo studies are conducted in mouse models of cancer. Tumor-bearing mice (e.g., Adriamycin-resistant MCF-7 or MDA-MB-231 xenografts) are treated with NIC3 at 25 mg/kg, iv, every three days for 6 doses. Tumor growth is monitored by caliper measurements. For combination studies, NIC3 is combined with conventional chemotherapeutic agents or bevacizumab. Metastasis is assessed by examining distant organs. NAC1 protein levels in tumors are assessed by immunohistochemistry or Western blot. Animals are monitored for clinical signs. Tissues are collected for histopathological and biomarker analysis at study endpoints. Studies are conducted in accordance with institutional animal care guidelines.
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| ADME/Pharmacokinetics |
NIC3 (MW 440.58 g/mol, C26H36N2O4) is a small molecule inhibitor. It is also known as 2-(4-tert-butylphenoxy)-N-{2-[2-(4-tert-butylphenoxy)acetamido]ethyl}acetamide. The compound is soluble in DMSO and other organic solvents. It is stable under recommended storage conditions. Pharmacokinetic parameters such as half-life, bioavailability, and tissue distribution would be determined in species-specific studies. The compound is typically administered intravenously in preclinical studies.
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| Toxicity/Toxicokinetics |
NIC3 is generally well-tolerated in preclinical studies at therapeutic doses. The compound is a selective NAC1 inhibitor with anti-cancer activity. Its effects on sensitizing drug-resistant tumors and enhancing anti-metastatic effects have been demonstrated with acceptable safety profiles. No significant adverse effects have been reported in the available literature at research-use concentrations. The compound is intended for research use only. Standard safety precautions should be followed when handling. Comprehensive toxicological evaluation would be required for therapeutic development.
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| Additional Infomation |
NIC3 is a selective inhibitor of nucleus accumbens-associated protein 1 (NAC1) that binds to Leu-90 and prevents homodimerization, leading to proteasomal degradation. It sensitizes drug-resistant tumor cells to chemotherapy and enhances the anti-metastatic effect of bevacizumab. NIC3 (25 mg/kg, iv) exhibits antitumor activity in mouse models. Its molecular formula is C26H36N2O4 with a molecular weight of 440.58 g/mol. All applications are limited to non-human research use.
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| Molecular Formula |
C26H36N2O4
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|---|---|
| Molecular Weight |
440.575047492981
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| Exact Mass |
440.267
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| CAS # |
494830-67-0
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| PubChem CID |
2930555
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| Appearance |
White to off-white solid powder
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| LogP |
5.6
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
11
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| Heavy Atom Count |
32
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| Complexity |
526
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC(C)(C)C1=CC=C(C=C1)OCC(=O)NCCNC(=O)COC2=CC=C(C=C2)C(C)(C)C
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| InChi Key |
ZVSHISOEPMAPLF-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C26H36N2O4/c1-25(2,3)19-7-11-21(12-8-19)31-17-23(29)27-15-16-28-24(30)18-32-22-13-9-20(10-14-22)26(4,5)6/h7-14H,15-18H2,1-6H3,(H,27,29)(H,28,30)
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| Chemical Name |
2-(4-tert-butylphenoxy)-N-[2-[[2-(4-tert-butylphenoxy)acetyl]amino]ethyl]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 |
| 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 : ~50 mg/mL (~113.49 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.67 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.2697 mL | 11.3487 mL | 22.6974 mL | |
| 5 mM | 0.4539 mL | 2.2697 mL | 4.5395 mL | |
| 10 mM | 0.2270 mL | 1.1349 mL | 2.2697 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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