| Size | Price | Stock | Qty |
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| Targets |
NSC-668394 targets ezrin, a member of the ezrin/radixin/moesin (ERM) family of proteins that link the actin cytoskeleton to the plasma membrane. Ezrin phosphorylation at Thr567 is required for its activation and involvement in cell migration and metastasis. By inhibiting ezrin T567 phosphorylation, NSC-668394 disrupts cytoskeletal organization and signal transduction.
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| ln Vitro |
In vitro, NSC668394 (10 μM; sham for 15 minutes) inhibits actin binding and ezrin T567 phosphorylation (IC50=8.1 μM) [1]. NSC668394 (1–10 μM; 2–6 h) prevents K7M2 skeletal growth mediated by ezrin. JM1 and JM2 dynasty cell line proliferation is severely inhibited by NSC668394 (20 μM) [2]. The horsefish (OS) cell motility phenotype on the thorax of HUVEC monolayers is diminished by NSC668394 (10 μM) [1].
In vitro, NSC-668394 acts as a potent inhibitor of ezrin Thr567 phosphorylation with a Kd of 12.59 µM. It prevents PKC-induced ezrin T567 phosphorylation. The compound (1-10 µM, 2-6 h) prevents K7M2 skeletal growth mediated by ezrin, and proliferation of JM1 and JM2 dynasty cell lines is severely inhibited by NSC-668394 (20 µM). |
| ln Vivo |
In the lung, NSC668394 (0.226 mg/kg/day; intraperitoneally; 5 days a week) inhibits ezrin-coupled peripheral OS migratory growth [1].
NSC-668394 has potential antitumor activity and is used to prevent tumor metastasis. Its in vivo activity is studied in preclinical models of cancer metastasis, where inhibition of ezrin phosphorylation disrupts tumor cell migration and invasion. The compound serves as a valuable tool in cancer biology and metastasis research. |
| Enzyme Assay |
The in vitro binding assay for NSC-668394 involves measuring its affinity for ezrin using purified protein preparations. These assays measure the binding of the compound to ezrin, with a Kd of 12.59 µM reported. The compound's ability to inhibit ezrin Thr567 phosphorylation is assessed using biochemical phosphorylation assays.
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| Cell Assay |
Western Blot analysis [1]
Cell Types: K7M2 OS cells Tested Concentrations: 10 μM Incubation Duration: 6 hrs (hours) Experimental Results: Inhibits T567 phosphorylation and actin binding of endogenous ezrin without changing cellular ezrin levels. In vitro cellular assays for NSC-668394 are performed using cancer cell lines to assess its effects on ezrin phosphorylation and cell function. These assays measure the compound's ability to inhibit PKC-induced ezrin T567 phosphorylation, cell proliferation, and migration. The compound (20 µM) severely inhibits proliferation of JM1 and JM2 cell lines. |
| Animal Protocol |
Animal/Disease Models: Female BALB/c and SCID/Beige mice were injected with K7M2 or MNNG-HOS tumor cells [1].
Doses: 0.226 mg/kg/day. Route of Administration: intraperitoneal (ip) injection, 5 days a week for 66 days. Experimental Results: Shows increased survival rates. Reduces the number of green fluorescent protein (GFP)-expressing metastases in lung tissue. In vivo animal studies for NSC-668394 are conducted in preclinical models of tumor metastasis. These studies typically involve administration of the compound, followed by assessment of tumor growth, metastasis, and survival. The compound's ability to prevent ezrin-mediated metastasis is evaluated in these models. |
| ADME/Pharmacokinetics |
Pharmacokinetic properties of NSC-668394 are characterized by its molecular properties: molecular formula C₁₇H₁₂Br₂N₂O₃ and molecular weight 452.1 g/mol. The compound is a small molecule inhibitor of ezrin phosphorylation. Its pharmacokinetic profile supports its use in preclinical research for cancer metastasis.
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| Toxicity/Toxicokinetics |
Toxicology studies of NSC-668394 have been conducted to support its development as an anti-metastatic agent. As an inhibitor of ezrin phosphorylation, its toxicology profile includes effects on cytoskeletal organization and cell migration in normal tissues. The compound's selectivity for tumor cells over normal cells is an important aspect of its safety profile.
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| References |
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| Additional Infomation |
NSC-668394 (CAS: 382605-72-3) is a potent small molecule inhibitor of ezrin Thr567 phosphorylation with a Kd of 12.59 µM. It has potential antitumor activity and is used to prevent tumor metastasis. The compound has a molecular formula of C₁₇H₁₂Br₂N₂O₃ and a molecular weight of 452.1 g/mol. It is used for research of cancer metastasis.
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| Molecular Formula |
C17H12BR2N2O3
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|---|---|
| Molecular Weight |
452.1
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| Exact Mass |
449.921
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| CAS # |
382605-72-3
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| Related CAS # |
JUN-1111;874351-38-9
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| PubChem CID |
381594
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| Appearance |
Orange to red solid powder
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| Density |
1.9±0.1 g/cm3
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| Boiling Point |
575.1±50.0 °C at 760 mmHg
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| Flash Point |
301.6±30.1 °C
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| Vapour Pressure |
0.0±1.6 mmHg at 25°C
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| Index of Refraction |
1.729
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| LogP |
3.65
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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 |
24
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| Complexity |
528
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CC2=C(C(=O)C(=CC2=O)NCCC3=CC(=C(C(=C3)Br)O)Br)N=C1
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| InChi Key |
OHPHDPYJEHZGDE-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C17H12Br2N2O3/c18-11-6-9(7-12(19)16(11)23)3-5-20-13-8-14(22)10-2-1-4-21-15(10)17(13)24/h1-2,4,6-8,20,23H,3,5H2
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| Chemical Name |
7-[2-(3,5-dibromo-4-hydroxyphenyl)ethylamino]quinoline-5,8-dione
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| Synonyms |
NSC668394; NSC 668394; NSC-668394
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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 (~110.60 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.53 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.2119 mL | 11.0595 mL | 22.1190 mL | |
| 5 mM | 0.4424 mL | 2.2119 mL | 4.4238 mL | |
| 10 mM | 0.2212 mL | 1.1060 mL | 2.2119 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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